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

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C20H21ClN4O3S MolecularWeight: 432.92374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C(=CC=C2)Cl)C

InChI

InChI=1S/C20H21ClN4O3S/c1-12-5-3-6-14(11-12)19(28)23-20(29)25-24-18(27)10-9-17(26)22-16-8-4-7-15(21)13(16)2/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,29)