N-(4-ethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(4-ethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(4-ethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(4-ethylphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(4-ethylphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(4-ethylphenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H26N4OS MolecularWeight: 418.55444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H26N4OS/c1-2-18-10-12-20(13-11-18)27-23(29)19-7-6-16-28(17-19)22-24(26-15-14-25-22)30-21-8-4-3-5-9-21/h3-5,8-15,19H,2,6-7,16-17H2,1H3,(H,27,29)