N-methyl-4-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide

Systemtic Name: N-methyl-4-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide Openeye Name: N-methyl-4-(3-methylbutanoylcarbamothioylamino)-N-phenyl-benzamide CAS Name: N-methyl-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenylbenzamide IUPAC Name: N-methyl-4-(3-methylbutanoylcarbamothioylamino)-N-phenylbenzamide Traditional Name: 4-(isovalerylthiocarbamoylamino)-N-methyl-N-phenyl-benzamide Formula: C20H23N3O2S MolecularWeight: 369.48052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2

InChI

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