4-[(4-ethylphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-[(4-ethylphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-[(4-ethylphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-[(4-ethylphenyl)methyl]-N-[3-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-ethylphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(4-ethylbenzyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCC1=CC=C(C=C1)CN2CCN(CC2)C(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H27N3OS/c1-3-17-7-9-18(10-8-17)16-23-11-13-24(14-12-23)21(25)22-19-5-4-6-20(15-19)26-2/h4-10,15H,3,11-14,16H2,1-2H3,(H,22,25)