1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(4-hydroxyphenyl)carbonylpiperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-[(4-hydroxyphenyl)-oxomethyl]-1-piperazinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(4-hydroxybenzoyl)piperazino]-2-[(3-methylbenzyl)thio]ethanone Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)O

InChI

InChI=1S/C21H24N2O3S/c1-16-3-2-4-17(13-16)14-27-15-20(25)22-9-11-23(12-10-22)21(26)18-5-7-19(24)8-6-18/h2-8,13,24H,9-12,14-15H2,1H3