N-(2-chloranyl-4,6-dimethoxy-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-(2-chloranyl-4,6-dimethoxy-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-(2-chloro-4,6-dimethoxy-phenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-(2-chloro-4,6-dimethoxyphenyl)-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-(2-chloro-4,6-dimethoxyphenyl)-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-(2-chloro-4,6-dimethoxy-phenyl)-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C24H25ClN4O3S MolecularWeight: 484.9983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25ClN4O3S/c1-31-17-13-19(25)21(20(14-17)32-2)28-23(30)16-7-6-12-29(15-16)22-24(27-11-10-26-22)33-18-8-4-3-5-9-18/h3-5,8-11,13-14,16H,6-7,12,15H2,1-2H3,(H,28,30)