methyl (E)-3-[(2-methyl-1H-indol-3-yl)carbonyl]-2-oxidanylidene-4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]but-3-enoate

Systemtic Name: methyl (E)-3-[(2-methyl-1H-indol-3-yl)carbonyl]-2-oxidanylidene-4-[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]but-3-enoate Openeye Name: methyl (E)-3-(2-methyl-1H-indole-3-carbonyl)-2-oxo-4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]but-3-enoate CAS Name: (E)-3-[(2-methyl-1H-indol-3-yl)-oxomethyl]-2-oxo-4-[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]-3-butenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-methyl-1H-indole-3-carbonyl)-2-oxo-4-[[(2-oxoindol-3-yl)amino]carbamothioylamino]but-3-enoate Traditional Name: (E)-2-keto-4-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]-3-(2-methyl-1H-indole-3-carbonyl)but-3-enoic acid methyl ester Formula: C24H19N5O5S MolecularWeight: 489.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(=CNC(=S)NNC3=C4C=CC=CC4=NC3=O)C(=O)C(=O)OC

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)/C(=C\NC(=S)NNC3=C4C=CC=CC4=NC3=O)/C(=O)C(=O)OC

InChI

InChI=1S/C24H19N5O5S/c1-12-18(13-7-3-5-9-16(13)26-12)20(30)15(21(31)23(33)34-2)11-25-24(35)29-28-19-14-8-4-6-10-17(14)27-22(19)32/h3-11,26H,1-2H3,(H2,25,29,35)(H,27,28,32)/b15-11+