3-(3-methylbutanoylcarbamothioylamino)-N-(3-methylphenyl)benzamide

Systemtic Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(3-methylphenyl)benzamide Openeye Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(m-tolyl)benzamide CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-(3-methylphenyl)benzamide IUPAC Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(3-methylphenyl)benzamide Traditional Name: 3-(isovalerylthiocarbamoylamino)-N-(m-tolyl)benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)CC(C)C

InChI

InChI=1S/C20H23N3O2S/c1-13(2)10-18(24)23-20(26)22-17-9-5-7-15(12-17)19(25)21-16-8-4-6-14(3)11-16/h4-9,11-13H,10H2,1-3H3,(H,21,25)(H2,22,23,24,26)