N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxyphenyl)-2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(4-methoxyphenyl)acetamide CAS Name: N-(4-methoxyphenyl)-2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]acetamide IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(4-methoxyphenyl)acetamide Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-N-(4-methoxyphenyl)acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)CSCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3S/c1-28-20-9-7-19(8-10-20)23-21(26)16-29-17-22(27)25-13-11-24(12-14-25)15-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3,(H,23,26)