4-methyl-2-[(phenylmethyl)carbamothioylamino]pentanamide

Systemtic Name: 4-methyl-2-[(phenylmethyl)carbamothioylamino]pentanamide Openeye Name: 2-(benzylcarbamothioylamino)-4-methyl-pentanamide CAS Name: 4-methyl-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanamide IUPAC Name: 2-(benzylcarbamothioylamino)-4-methylpentanamide Traditional Name: 2-(benzylthiocarbamoylamino)-4-methyl-valeramide Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=S)NCC1=CC=CC=C1

Isomeric SMILES

CC(C)CC(C(=O)N)NC(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H21N3OS/c1-10(2)8-12(13(15)18)17-14(19)16-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H2,15,18)(H2,16,17,19)