3-(3-methylbutanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide

Systemtic Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Openeye Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide CAS Name: 3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 3-(3-methylbutanoylcarbamothioylamino)-N-(1-phenylethyl)benzamide Traditional Name: 3-(isovalerylthiocarbamoylamino)-N-(1-phenylethyl)benzamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2S/c1-14(2)12-19(25)24-21(27)23-18-11-7-10-17(13-18)20(26)22-15(3)16-8-5-4-6-9-16/h4-11,13-15H,12H2,1-3H3,(H,22,26)(H2,23,24,25,27)