9H-fluoren-9-ylmethyl N-[[8-aminocarbonyl-10-(dimethylamino)-4,5,6a,9-tetrakis(oxidanyl)-6,7-bis(oxidanylidene)-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]carbamothioyl]carbamate

Systemtic Name: 9H-fluoren-9-ylmethyl N-[[8-aminocarbonyl-10-(dimethylamino)-4,5,6a,9-tetrakis(oxidanyl)-6,7-bis(oxidanylidene)-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]carbamothioyl]carbamate Openeye Name: 9H-fluoren-9-ylmethyl N-[[8-carbamoyl-10-(dimethylamino)-4,5,6a,9-tetrahydroxy-6,7-dioxo-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]carbamothioyl]carbamate CAS Name: N-[[[8-carbamoyl-10-(dimethylamino)-4,5,6a,9-tetrahydroxy-6,7-dioxo-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]amino]-sulfanylidenemethyl]carbamic acid 9H-fluoren-9-ylmethyl ester IUPAC Name: 9H-fluoren-9-ylmethyl N-[[8-carbamoyl-10-(dimethylamino)-4,5,6a,9-tetrahydroxy-6,7-dioxo-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]carbamothioyl]carbamate Traditional Name: N-[[8-carbamoyl-10-(dimethylamino)-4,5,6a,9-tetrahydroxy-6,7-diketo-9,10,10a,11,11a,12-hexahydro-8H-tetracen-1-yl]thiocarbamoyl]carbamic acid 9H-fluoren-9-ylmethyl ester Formula: C37H36N4O9S MolecularWeight: 712.76814

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(C1O)C(=O)N)O)O)O)NC(=S)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

Isomeric SMILES

CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=O)C(C1O)C(=O)N)O)O)O)NC(=S)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57

InChI

InChI=1S/C37H36N4O9S/c1-41(2)29-23-14-16-13-21-24(11-12-25(42)27(21)30(43)26(16)32(45)37(23,49)33(46)28(31(29)44)34(38)47)39-35(51)40-36(48)50-15-22-19-9-5-3-7-17(19)18-8-4-6-10-20(18)22/h3-12,16,22-23,28-29,31,42-44,49H,13-15H2,1-2H3,(H2,38,47)(H2,39,40,48,51)