methyl 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[1-(1-benzotriazolylmethyl)-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[1-(benzotriazol-1-ylmethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C22H23N7O2S2 MolecularWeight: 481.59372

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)N2CCC(CC2)C3=NC=CN3CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H23N7O2S2/c1-31-21(30)19-17(8-13-33-19)24-22(32)27-10-6-15(7-11-27)20-23-9-12-28(20)14-29-18-5-3-2-4-16(18)25-26-29/h2-5,8-9,12-13,15H,6-7,10-11,14H2,1H3,(H,24,32)