N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)-4-(4-methoxybenzoyl)piperidine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)-4-(4-methoxybenzoyl)piperidine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)-4-p-anisoyl-piperidine-1-carbothioamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCC(CC2)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H26N2O2S/c1-15-4-5-16(2)20(14-15)23-22(27)24-12-10-18(11-13-24)21(25)17-6-8-19(26-3)9-7-17/h4-9,14,18H,10-13H2,1-3H3,(H,23,27)