4-[4-(2-azanylethyl)phenyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide

Systemtic Name: 4-[4-(2-azanylethyl)phenyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide Openeye Name: 4-[4-(2-aminoethyl)phenyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide CAS Name: 4-[[4-(2-aminoethyl)phenyl]thio]-N-[(1-phenylcyclopentyl)methyl]-1-piperidinecarboxamide IUPAC Name: 4-[4-(2-aminoethyl)phenyl]sulfanyl-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide Traditional Name: 4-[[4-(2-aminoethyl)phenyl]thio]-N-[(1-phenylcyclopentyl)methyl]piperidine-1-carboxamide Formula: C26H35N3OS MolecularWeight: 437.6406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(CNC(=O)N2CCC(CC2)SC3=CC=C(C=C3)CCN)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)(CNC(=O)N2CCC(CC2)SC3=CC=C(C=C3)CCN)C4=CC=CC=C4

InChI

InChI=1S/C26H35N3OS/c27-17-12-21-8-10-23(11-9-21)31-24-13-18-29(19-14-24)25(30)28-20-26(15-4-5-16-26)22-6-2-1-3-7-22/h1-3,6-11,24H,4-5,12-20,27H2,(H,28,30)