N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-12-5-4-6-13(11-12)18(27)22-19(28)24-23-17(26)10-9-16(25)21-15-8-3-2-7-14(15)20/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,26)(H2,22,24,27,28)