tert-butyl 4-[[3-methoxycarbonyl-4-(3-methoxy-6-oxidanylidene-xanthen-9-yl)phenyl]carbamothioyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-methoxycarbonyl-4-(3-methoxy-6-oxidanylidene-xanthen-9-yl)phenyl]carbamothioyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[3-methoxycarbonyl-4-(3-methoxy-6-oxo-xanthen-9-yl)phenyl]carbamothioyl]piperazine-1-carboxylate CAS Name: 4-[[3-methoxycarbonyl-4-(3-methoxy-6-oxo-9-xanthenyl)anilino]-sulfanylidenemethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-methoxycarbonyl-4-(3-methoxy-6-oxoxanthen-9-yl)phenyl]carbamothioyl]piperazine-1-carboxylate Traditional Name: 4-[[3-carbomethoxy-4-(3-keto-6-methoxy-xanthen-9-yl)phenyl]thiocarbamoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C32H33N3O7S MolecularWeight: 603.68532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)OC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)NC2=CC(=C(C=C2)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)OC)C(=O)OC

InChI

InChI=1S/C32H33N3O7S/c1-32(2,3)42-31(38)35-14-12-34(13-15-35)30(43)33-19-6-9-22(25(16-19)29(37)40-5)28-23-10-7-20(36)17-26(23)41-27-18-21(39-4)8-11-24(27)28/h6-11,16-18H,12-15H2,1-5H3,(H,33,43)