2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-phenethyl-benzamide

Systemtic Name: 2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-phenethyl-benzamide Openeye Name: 2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-phenethyl-benzamide CAS Name: 2-[methyl-[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-phenethylbenzamide IUPAC Name: 2-[methyl(3-methylbutanoylcarbamothioyl)amino]-N-phenethylbenzamide Traditional Name: 2-[isovalerylthiocarbamoyl(methyl)amino]-N-phenethyl-benzamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)CC(=O)NC(=S)N(C)C1=CC=CC=C1C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O2S/c1-16(2)15-20(26)24-22(28)25(3)19-12-8-7-11-18(19)21(27)23-14-13-17-9-5-4-6-10-17/h4-12,16H,13-15H2,1-3H3,(H,23,27)(H,24,26,28)