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

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-1-[3-(p-tolylsulfanyl)pyrazin-2-yl]piperidine-3-carboxamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-1-[3-[(4-methylphenyl)thio]-2-pyrazinyl]-3-piperidinecarboxamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-1-[3-(4-methylphenyl)sulfanylpyrazin-2-yl]piperidine-3-carboxamide Traditional Name: N-[4-(dimethylamino)benzyl]-1-[3-(p-tolylthio)pyrazin-2-yl]nipecotamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=CN=C2N3CCCC(C3)C(=O)NCC4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C26H31N5OS/c1-19-6-12-23(13-7-19)33-26-24(27-14-15-28-26)31-16-4-5-21(18-31)25(32)29-17-20-8-10-22(11-9-20)30(2)3/h6-15,21H,4-5,16-18H2,1-3H3,(H,29,32)