N-(2-methylphenyl)-3-oxidanylidene-2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]butanamide

Systemtic Name: N-(2-methylphenyl)-3-oxidanylidene-2-[[[(2-oxidanylideneindol-3-yl)amino]carbamothioylamino]methylidene]butanamide Openeye Name: N-(o-tolyl)-3-oxo-2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylene]butanamide CAS Name: N-(2-methylphenyl)-3-oxo-2-[[[[(2-oxo-3-indolyl)hydrazo]-sulfanylidenemethyl]amino]methylidene]butanamide IUPAC Name: N-(2-methylphenyl)-3-oxo-2-[[[(2-oxoindol-3-yl)amino]carbamothioylamino]methylidene]butanamide Traditional Name: 2-acetyl-3-[[(2-ketoindol-3-yl)amino]thiocarbamoylamino]-N-(o-tolyl)acrylamide Formula: C21H19N5O3S MolecularWeight: 421.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NNC2=C3C=CC=CC3=NC2=O)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NNC2=C3C=CC=CC3=NC2=O)C(=O)C

InChI

InChI=1S/C21H19N5O3S/c1-12-7-3-5-9-16(12)23-19(28)15(13(2)27)11-22-21(30)26-25-18-14-8-4-6-10-17(14)24-20(18)29/h3-11H,1-2H3,(H,23,28)(H2,22,26,30)(H,24,25,29)