2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide

Systemtic Name: 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxidanylidene-butanamide Openeye Name: 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylene]-N-(o-tolyl)-3-oxo-butanamide CAS Name: 2-[[[(3,4-dichloroanilino)-sulfanylidenemethyl]amino]methylidene]-N-(2-methylphenyl)-3-oxobutanamide IUPAC Name: 2-[[(3,4-dichlorophenyl)carbamothioylamino]methylidene]-N-(2-methylphenyl)-3-oxobutanamide Traditional Name: 2-acetyl-3-[(3,4-dichlorophenyl)thiocarbamoylamino]-N-(o-tolyl)acrylamide Formula: C19H17Cl2N3O2S MolecularWeight: 422.32818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(=CNC(=S)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C

InChI

InChI=1S/C19H17Cl2N3O2S/c1-11-5-3-4-6-17(11)24-18(26)14(12(2)25)10-22-19(27)23-13-7-8-15(20)16(21)9-13/h3-10H,1-2H3,(H,24,26)(H2,22,23,27)