dimethyl 3-methyl-5-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[1-(phenylmethyl)piperidin-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(1-benzyl-4-piperidyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-(phenylmethyl)-4-piperidinyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(1-benzylpiperidin-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzyl-4-piperidyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCN(CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H27N3O4S2/c1-14-17(20(26)28-2)19(31-18(14)21(27)29-3)24-22(30)23-16-9-11-25(12-10-16)13-15-7-5-4-6-8-15/h4-8,16H,9-13H2,1-3H3,(H2,23,24,30)