N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[(2S)-3-oxidanylidene-1-phenyl-butan-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-[(1S)-1-benzyl-2-oxo-propyl]-2-[4-(2-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-[(2S)-3-oxo-1-phenylbutan-2-yl]-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-[(1S)-1-benzyl-2-keto-propyl]-2-[4-(2-thenyl)piperazino]acetamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C21H27N3O2S/c1-17(25)20(14-18-6-3-2-4-7-18)22-21(26)16-24-11-9-23(10-12-24)15-19-8-5-13-27-19/h2-8,13,20H,9-12,14-16H2,1H3,(H,22,26)/t20-/m0/s1