(2S)-4-methyl-N-(2-methylpropyl)-2-(phenylcarbamothioylamino)pentanamide

Systemtic Name: (2S)-4-methyl-N-(2-methylpropyl)-2-(phenylcarbamothioylamino)pentanamide Openeye Name: (2S)-N-isobutyl-4-methyl-2-(phenylcarbamothioylamino)pentanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-N-(2-methylpropyl)pentanamide IUPAC Name: (2S)-4-methyl-N-(2-methylpropyl)-2-(phenylcarbamothioylamino)pentanamide Traditional Name: (2S)-N-isobutyl-4-methyl-2-(phenylthiocarbamoylamino)valeramide Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC(C)C)NC(=S)NC1=CC=CC=C1

InChI

InChI=1S/C17H27N3OS/c1-12(2)10-15(16(21)18-11-13(3)4)20-17(22)19-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3,(H,18,21)(H2,19,20,22)/t15-/m0/s1