N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(2,4-dimethylphenyl)sulfanylphenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[4-[(2,4-dimethylphenyl)thio]phenyl]-1-(2-thenoyl)isonipecotamide Formula: C25H26N2O2S2 MolecularWeight: 450.61614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4)C

InChI

InChI=1S/C25H26N2O2S2/c1-17-5-10-22(18(2)16-17)31-21-8-6-20(7-9-21)26-24(28)19-11-13-27(14-12-19)25(29)23-4-3-15-30-23/h3-10,15-16,19H,11-14H2,1-2H3,(H,26,28)