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

Systemtic Name: methyl 3-[[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidin-1-yl]carbothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate CAS Name: 3-[[[4-[1-(2-ethylsulfonylethyl)-2-imidazolyl]-1-piperidinyl]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[4-[1-(2-ethylsulfonylethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[4-[1-(2-esylethyl)imidazol-2-yl]piperidine-1-carbothioyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C19H26N4O4S3 MolecularWeight: 470.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CCS(=O)(=O)CCN1C=CN=C1C2CCN(CC2)C(=S)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C19H26N4O4S3/c1-3-30(25,26)13-11-22-10-7-20-17(22)14-4-8-23(9-5-14)19(28)21-15-6-12-29-16(15)18(24)27-2/h6-7,10,12,14H,3-5,8-9,11,13H2,1-2H3,(H,21,28)