N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]-2-propan-2-ylsulfanyl-benzamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]-2-propan-2-ylsulfanyl-benzamide Openeye Name: 2-isopropylsulfanyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide CAS Name: N-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2-(propan-2-ylthio)benzamide IUPAC Name: N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-propan-2-ylsulfanylbenzamide Traditional Name: 2-(isopropylthio)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)SC1=CC=CC=C1C(=O)NC2=CC=CC=C2C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c1-20(2)33-25-15-9-7-13-23(25)26(31)28-24-14-8-6-12-22(24)27(32)30-18-16-29(17-19-30)21-10-4-3-5-11-21/h3-15,20H,16-19H2,1-2H3,(H,28,31)