N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[[4-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[[4-(3,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[4-(3,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[[4-(3,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[[4-(3,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CC2)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CC2)C

InChI

InChI=1S/C17H22N4O3S/c1-10-3-6-13(9-11(10)2)18-14(22)7-8-15(23)20-21-17(25)19-16(24)12-4-5-12/h3,6,9,12H,4-5,7-8H2,1-2H3,(H,18,22)(H,20,23)(H2,19,21,24,25)