N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]cyclopropanecarboxamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]cyclopropanecarboxamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]cyclopropanecarboxamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]cyclopropanecarboxamide Formula: C16H19ClN4O3S MolecularWeight: 382.86506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2CC2

InChI

InChI=1S/C16H19ClN4O3S/c1-9-11(17)3-2-4-12(9)18-13(22)7-8-14(23)20-21-16(25)19-15(24)10-5-6-10/h2-4,10H,5-8H2,1H3,(H,18,22)(H,20,23)(H2,19,21,24,25)