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

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-(2-methyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-1-isobutyryl-isonipecotamide Formula: C24H30N2O2S MolecularWeight: 410.5722

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O2S/c1-16(2)24(28)26-13-11-19(12-14-26)23(27)25-20-6-9-21(10-7-20)29-22-8-5-17(3)18(4)15-22/h5-10,15-16,19H,11-14H2,1-4H3,(H,25,27)