N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide CAS Name: 1-(2,2-dimethyl-1-oxopropyl)-N-[4-[(3,4-dimethylphenyl)thio]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-pivaloyl-isonipecotamide Formula: C25H32N2O2S MolecularWeight: 424.59878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O2S/c1-17-6-9-22(16-18(17)2)30-21-10-7-20(8-11-21)26-23(28)19-12-14-27(15-13-19)24(29)25(3,4)5/h6-11,16,19H,12-15H2,1-5H3,(H,26,28)