N-[(2S)-1-[4-(2-methylpropylcarbamothioyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]ethanamide

Systemtic Name: N-[(2S)-1-[4-(2-methylpropylcarbamothioyl)piperazin-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-[4-(isobutylcarbamothioyl)piperazin-1-yl]-2-oxo-ethyl]acetamide CAS Name: N-[(2S)-1-[4-[(2-methylpropylamino)-sulfanylidenemethyl]-1-piperazinyl]-1-oxo-3-phenylpropan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[4-(2-methylpropylcarbamothioyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-[4-(isobutylthiocarbamoyl)piperazino]-2-keto-ethyl]acetamide Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(C)CNC(=S)N1CCN(CC1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C20H30N4O2S/c1-15(2)14-21-20(27)24-11-9-23(10-12-24)19(26)18(22-16(3)25)13-17-7-5-4-6-8-17/h4-8,15,18H,9-14H2,1-3H3,(H,21,27)(H,22,25)/t18-/m0/s1