N-[2-(4-methylphenyl)sulfanyl-5-(4-propylpiperazin-1-yl)carbonyl-phenyl]ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-propylpiperazin-1-yl)carbonyl-phenyl]ethanamide Openeye Name: N-[5-(4-propylpiperazine-1-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[2-[(4-methylphenyl)thio]-5-[oxo-(4-propyl-1-piperazinyl)methyl]phenyl]acetamide IUPAC Name: N-[2-(4-methylphenyl)sulfanyl-5-(4-propylpiperazine-1-carbonyl)phenyl]acetamide Traditional Name: N-[5-(4-propylpiperazine-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C23H29N3O2S/c1-4-11-25-12-14-26(15-13-25)23(28)19-7-10-22(21(16-19)24-18(3)27)29-20-8-5-17(2)6-9-20/h5-10,16H,4,11-15H2,1-3H3,(H,24,27)