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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

InChI

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