N-[2-(azepan-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-[3-(phenylthio)-2-pyrazinyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-4-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-[3-(phenylthio)pyrazin-2-yl]isonipecotamide Formula: C24H33N5OS MolecularWeight: 439.61672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)CCNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

InChI=1S/C24H33N5OS/c30-23(26-14-19-28-15-6-1-2-7-16-28)20-10-17-29(18-11-20)22-24(27-13-12-25-22)31-21-8-4-3-5-9-21/h3-5,8-9,12-13,20H,1-2,6-7,10-11,14-19H2,(H,26,30)