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

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]-N-methyl-piperidine-1-carbothioamide Openeye Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methyl-piperidine-1-carbothioamide CAS Name: 4-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-N-methyl-1-piperidinecarbothioamide IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methylpiperidine-1-carbothioamide Traditional Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-methyl-piperidine-1-carbothioamide Formula: C16H22N6O2S MolecularWeight: 362.44988

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCC(CC1)N2N=C(N=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CNC(=S)N1CCC(CC1)N2N=C(N=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C16H22N6O2S/c1-17-16(25)21-8-6-12(7-9-21)22-19-15(18-20-22)11-4-5-13(23-2)14(10-11)24-3/h4-5,10,12H,6-9H2,1-3H3,(H,17,25)