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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC=CN=C3SC4=CC=CC=C4

InChI

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