N-(3-methylsulfanylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: N-(3-methylsulfanylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide Openeye Name: 4-[(4-isopropylphenyl)methyl]-N-(3-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-[3-(methylthio)phenyl]-4-[(4-propan-2-ylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: N-(3-methylsulfanylphenyl)-4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxamide Traditional Name: 4-(4-isopropylbenzyl)-N-[3-(methylthio)phenyl]piperazine-1-carboxamide Formula: C22H29N3OS MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3OS/c1-17(2)19-9-7-18(8-10-19)16-24-11-13-25(14-12-24)22(26)23-20-5-4-6-21(15-20)27-3/h4-10,15,17H,11-14,16H2,1-3H3,(H,23,26)