N-[(4-dimethylaminophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1-[3-(phenylthio)-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1-(3-phenylsulfanylpyrazin-2-yl)piperidine-3-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-1-[3-(phenylthio)pyrazin-2-yl]nipecotamide Formula: C25H29N5OS MolecularWeight: 447.59566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N5OS/c1-29(2)21-12-10-19(11-13-21)17-28-24(31)20-7-6-16-30(18-20)23-25(27-15-14-26-23)32-22-8-4-3-5-9-22/h3-5,8-15,20H,6-7,16-18H2,1-2H3,(H,28,31)