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

Systemtic Name: dimethyl 3-methyl-5-[(1-methylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1-methyl-4-piperidyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-methyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1-methylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-methyl-4-piperidyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H23N3O4S2 MolecularWeight: 385.50152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O4S2/c1-9-11(14(20)22-3)13(25-12(9)15(21)23-4)18-16(24)17-10-5-7-19(2)8-6-10/h10H,5-8H2,1-4H3,(H2,17,18,24)