N-[4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonylphenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[4-(2-phenylsulfanylethyl)piperazin-1-yl]carbonylphenyl]cyclopropanecarboxamide Openeye Name: N-[4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[oxo-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[4-(2-phenylsulfanylethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[4-[2-(phenylthio)ethyl]piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2S/c27-22(18-6-7-18)24-20-10-8-19(9-11-20)23(28)26-14-12-25(13-15-26)16-17-29-21-4-2-1-3-5-21/h1-5,8-11,18H,6-7,12-17H2,(H,24,27)