(2-methoxy-4-methylsulfanyl-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: (2-methoxy-4-methylsulfanyl-phenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone CAS Name: [2-methoxy-4-(methylthio)phenyl]-[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (2-methoxy-4-methylsulfanylphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: [2-methoxy-4-(methylthio)phenyl]-(4-p-anisylpiperazino)methanone Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C21H26N2O3S/c1-25-17-6-4-16(5-7-17)15-22-10-12-23(13-11-22)21(24)19-9-8-18(27-3)14-20(19)26-2/h4-9,14H,10-13,15H2,1-3H3