N-(3,5-dimethylphenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(3,5-dimethylphenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(3,5-dimethylphenyl)-4-(5-thiophen-2-yl-2-tetrazolyl)-1-piperidinecarbothioamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioamide Traditional Name: N-(3,5-dimethylphenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide Formula: C19H22N6S2 MolecularWeight: 398.54818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)C

InChI

InChI=1S/C19H22N6S2/c1-13-10-14(2)12-15(11-13)20-19(26)24-7-5-16(6-8-24)25-22-18(21-23-25)17-4-3-9-27-17/h3-4,9-12,16H,5-8H2,1-2H3,(H,20,26)