N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]piperidine-1-carbothioamide

Systemtic Name: N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]piperidine-1-carbothioamide Openeye Name: N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine-1-carbothioamide CAS Name: N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-1-piperidinecarbothioamide IUPAC Name: N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine-1-carbothioamide Traditional Name: N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]piperidine-1-carbothioamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)C3CCN(CC3)C(=S)NC4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)C3CCN(CC3)C(=S)NC4CCCC4)OC

InChI

InChI=1S/C20H28N6O2S/c1-27-17-8-7-14(13-18(17)28-2)19-22-24-26(23-19)16-9-11-25(12-10-16)20(29)21-15-5-3-4-6-15/h7-8,13,15-16H,3-6,9-12H2,1-2H3,(H,21,29)