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

Systemtic Name: 4-[5-(3,4-dimethoxyphenyl)-1,2,3,4-tetrazol-2-yl]-N-phenyl-piperidine-1-carbothioamide Openeye Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenyl-piperidine-1-carbothioamide CAS Name: 4-[5-(3,4-dimethoxyphenyl)-2-tetrazolyl]-N-phenyl-1-piperidinecarbothioamide IUPAC Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenylpiperidine-1-carbothioamide Traditional Name: 4-[5-(3,4-dimethoxyphenyl)tetrazol-2-yl]-N-phenyl-piperidine-1-carbothioamide Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(N=N2)C3CCN(CC3)C(=S)NC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(N=N2)C3CCN(CC3)C(=S)NC4=CC=CC=C4)OC

InChI

InChI=1S/C21H24N6O2S/c1-28-18-9-8-15(14-19(18)29-2)20-23-25-27(24-20)17-10-12-26(13-11-17)21(30)22-16-6-4-3-5-7-16/h3-9,14,17H,10-13H2,1-2H3,(H,22,30)