N-(2-methoxy-5-methyl-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide CAS Name: N-(2-methoxy-5-methylphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-1-[3-(phenylthio)pyrazin-2-yl]isonipecotamide Formula: C24H26N4O2S MolecularWeight: 434.55384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O2S/c1-17-8-9-21(30-2)20(16-17)27-23(29)18-10-14-28(15-11-18)22-24(26-13-12-25-22)31-19-6-4-3-5-7-19/h3-9,12-13,16,18H,10-11,14-15H2,1-2H3,(H,27,29)