N-(4-butoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(4-butoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(4-butoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(4-butoxyphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(4-butoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(4-butoxyphenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C22H29N3O2S MolecularWeight: 399.54956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C22H29N3O2S/c1-3-4-17-27-19-11-9-18(10-12-19)23-22(26)25-15-13-24(14-16-25)20-7-5-6-8-21(20)28-2/h5-12H,3-4,13-17H2,1-2H3,(H,23,26)