N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-(4-methoxybenzoyl)piperidine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(4-methoxybenzoyl)piperidine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-p-anisoyl-piperidine-1-carbothioamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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