N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxyphenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxybenzoyl)piperidine-1-carbothioamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methoxyphenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(4-methoxybenzoyl)piperidine-1-carbothioamide Traditional Name: N-homoveratryl-4-p-anisoyl-piperidine-1-carbothioamide Formula: C24H30N2O4S MolecularWeight: 442.571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O4S/c1-28-20-7-5-18(6-8-20)23(27)19-11-14-26(15-12-19)24(31)25-13-10-17-4-9-21(29-2)22(16-17)30-3/h4-9,16,19H,10-15H2,1-3H3,(H,25,31)