N-[3-(3,4-dimethoxyphenyl)-1-methyl-piperidin-4-yl]-4-methyl-benzenecarbothioamide

Systemtic Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-piperidin-4-yl]-4-methyl-benzenecarbothioamide Openeye Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidyl]-4-methyl-benzenecarbothioamide CAS Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidinyl]-4-methylbenzenecarbothioamide IUPAC Name: N-[3-(3,4-dimethoxyphenyl)-1-methylpiperidin-4-yl]-4-methylbenzenecarbothioamide Traditional Name: N-[3-(3,4-dimethoxyphenyl)-1-methyl-4-piperidyl]-4-methyl-thiobenzamide Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)NC2CCN(CC2C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)NC2CCN(CC2C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H28N2O2S/c1-15-5-7-16(8-6-15)22(27)23-19-11-12-24(2)14-18(19)17-9-10-20(25-3)21(13-17)26-4/h5-10,13,18-19H,11-12,14H2,1-4H3,(H,23,27)