[2-[4-chloranyl-2-(1-hydroxyethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [2-[4-chloranyl-2-(1-hydroxyethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [2-[4-chloro-2-(1-hydroxyethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [2-[[4-chloro-2-(1-hydroxyethyl)phenyl]thio]phenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [2-[4-chloro-2-(1-hydroxyethyl)phenyl]sulfanylphenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [2-[[4-chloro-2-(1-hydroxyethyl)phenyl]thio]phenyl]-(4-methylpiperazino)methanone Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)N3CCN(CC3)C)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)Cl)SC2=CC=CC=C2C(=O)N3CCN(CC3)C)O

InChI

InChI=1S/C20H23ClN2O2S/c1-14(24)17-13-15(21)7-8-19(17)26-18-6-4-3-5-16(18)20(25)23-11-9-22(2)10-12-23/h3-8,13-14,24H,9-12H2,1-2H3