methyl 4-[[4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate

Systemtic Name: methyl 4-[[4-(5-thiophen-2-yl-1,2,3,4-tetrazol-2-yl)piperidin-1-yl]carbothioylamino]benzoate Openeye Name: methyl 4-[[4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioyl]amino]benzoate CAS Name: 4-[[sulfanylidene-[4-(5-thiophen-2-yl-2-tetrazolyl)-1-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(5-thiophen-2-yltetrazol-2-yl)piperidine-1-carbothioyl]amino]benzoate Traditional Name: 4-[[4-[5-(2-thienyl)tetrazol-2-yl]piperidine-1-carbothioyl]amino]benzoic acid methyl ester Formula: C19H20N6O2S2 MolecularWeight: 428.5311

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O2S2/c1-27-18(26)13-4-6-14(7-5-13)20-19(28)24-10-8-15(9-11-24)25-22-17(21-23-25)16-3-2-12-29-16/h2-7,12,15H,8-11H2,1H3,(H,20,28)