N-[(2R)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide

Systemtic Name: N-[(2R)-3-(4-butylphenyl)sulfanyl-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]ethanamide Openeye Name: N-[(1R)-2-(4-benzylpiperazin-1-yl)-1-[(4-butylphenyl)sulfanylmethyl]-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-3-[(4-butylphenyl)thio]-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]acetamide IUPAC Name: N-[(2R)-1-(4-benzylpiperazin-1-yl)-3-(4-butylphenyl)sulfanyl-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-2-(4-benzylpiperazino)-1-[[(4-butylphenyl)thio]methyl]-2-keto-ethyl]acetamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)SCC(C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)SC[C@@H](C(=O)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C

InChI

InChI=1S/C26H35N3O2S/c1-3-4-8-22-11-13-24(14-12-22)32-20-25(27-21(2)30)26(31)29-17-15-28(16-18-29)19-23-9-6-5-7-10-23/h5-7,9-14,25H,3-4,8,15-20H2,1-2H3,(H,27,30)/t25-/m0/s1