N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-thiophen-2-yl-2-tetrazolyl)-1-piperidinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioamide Formula: C19H21ClN6O2S2 MolecularWeight: 464.99204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCC(CC2)N3N=C(N=N3)C4=CC=CS4)OC)Cl

InChI

InChI=1S/C19H21ClN6O2S2/c1-27-15-11-14(16(28-2)10-13(15)20)21-19(29)25-7-5-12(6-8-25)26-23-18(22-24-26)17-4-3-9-30-17/h3-4,9-12H,5-8H2,1-2H3,(H,21,29)