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

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(3-chloro-4-methoxyphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C23H23ClN4O2S MolecularWeight: 454.97232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCCN(C2)C3=NC=CN=C3SC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN4O2S/c1-30-20-10-9-17(14-19(20)24)27-22(29)16-6-5-13-28(15-16)21-23(26-12-11-25-21)31-18-7-3-2-4-8-18/h2-4,7-12,14,16H,5-6,13,15H2,1H3,(H,27,29)