4-(4-methoxyphenyl)carbonyl-N-phenethyl-piperidine-1-carbothioamide

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-26-20-9-7-18(8-10-20)21(25)19-12-15-24(16-13-19)22(27)23-14-11-17-5-3-2-4-6-17/h2-10,19H,11-16H2,1H3,(H,23,27)