4-(2,5-dimethylphenyl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(2,5-dimethylphenyl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: 4-(2,5-dimethylphenyl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: 4-(2,5-dimethylphenyl)-N-[4-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,5-dimethylphenyl)-N-(4-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: 4-(2,5-dimethylphenyl)-N-[4-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H25N3OS MolecularWeight: 355.497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H25N3OS/c1-15-4-5-16(2)19(14-15)22-10-12-23(13-11-22)20(24)21-17-6-8-18(25-3)9-7-17/h4-9,14H,10-13H2,1-3H3,(H,21,24)