N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide

Systemtic Name: N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylphenyl]ethanamide Openeye Name: N-[4-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylphenyl]acetamide CAS Name: N-[4-[[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]thio]phenyl]acetamide IUPAC Name: N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]sulfanylphenyl]acetamide Traditional Name: N-[4-[[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]thio]phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)CSC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H27N3O2S/c1-17-4-3-5-19(14-17)15-24-10-12-25(13-11-24)22(27)16-28-21-8-6-20(7-9-21)23-18(2)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)