2-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-N-(4-methylphenyl)ethanamide Openeye Name: 2-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-methyl-2-oxo-ethyl]sulfanyl-N-(p-tolyl)acetamide CAS Name: 2-[[1-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-oxopropan-2-yl]thio]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]sulfanyl-N-(4-methylphenyl)acetamide Traditional Name: 2-[[2-[4-(2-hydroxyphenyl)piperazino]-2-keto-1-methyl-ethyl]thio]-N-(p-tolyl)acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)N2CCN(CC2)C3=CC=CC=C3O

InChI

InChI=1S/C22H27N3O3S/c1-16-7-9-18(10-8-16)23-21(27)15-29-17(2)22(28)25-13-11-24(12-14-25)19-5-3-4-6-20(19)26/h3-10,17,26H,11-15H2,1-2H3,(H,23,27)