N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-yl-piperidine-4-carboxamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-(2-pyrazinyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-pyrazin-2-yl-isonipecotamide Formula: C24H26N4OS MolecularWeight: 418.55444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CN=C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C4=NC=CN=C4)C

InChI

InChI=1S/C24H26N4OS/c1-17-3-8-22(18(2)15-17)30-21-6-4-20(5-7-21)27-24(29)19-9-13-28(14-10-19)23-16-25-11-12-26-23/h3-8,11-12,15-16,19H,9-10,13-14H2,1-2H3,(H,27,29)