N-(3,4-dimethoxyphenyl)-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(3,4-dimethoxyphenyl)piperidine-1-carbothioamide Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCC(CC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-24-19-9-8-18(15-20(19)25-2)22-21(26)23-12-10-17(11-13-23)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3,(H,22,26)