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

Systemtic Name: N-[(2R)-3-(4-butylphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]ethanamide Openeye Name: N-[(1R)-1-[(4-butylphenyl)sulfanylmethyl]-2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]acetamide CAS Name: N-[(2R)-3-[(4-butylphenyl)thio]-1-(4-methyl-1-piperazinyl)-1-oxopropan-2-yl]acetamide IUPAC Name: N-[(2R)-3-(4-butylphenyl)sulfanyl-1-(4-methylpiperazin-1-yl)-1-oxopropan-2-yl]acetamide Traditional Name: N-[(1R)-1-[[(4-butylphenyl)thio]methyl]-2-keto-2-(4-methylpiperazino)ethyl]acetamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-4-5-6-17-7-9-18(10-8-17)26-15-19(21-16(2)24)20(25)23-13-11-22(3)12-14-23/h7-10,19H,4-6,11-15H2,1-3H3,(H,21,24)/t19-/m0/s1