2-[(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]ethyl carbamimidothioate

Systemtic Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]ethyl carbamimidothioate Openeye Name: N-[10-(2-carbamimidoylsulfanylethylamino)-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide CAS Name: carbamimidothioic acid 2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]ethyl ester IUPAC Name: 2-[(7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl)amino]ethyl carbamimidothioate Traditional Name: N-[10-[2-(amidinothio)ethylamino]-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide Formula: C24H30N4O5S MolecularWeight: 486.5838

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCSC(=N)N)OC)OC)OC

Isomeric SMILES

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCSC(=N)N)OC)OC)OC

InChI

InChI=1S/C24H30N4O5S/c1-13(29)28-17-7-5-14-11-20(31-2)22(32-3)23(33-4)21(14)15-6-8-18(19(30)12-16(15)17)27-9-10-34-24(25)26/h6,8,11-12,17H,5,7,9-10H2,1-4H3,(H3,25,26)(H,27,30)(H,28,29)