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

Systemtic Name: dimethyl 3-methyl-5-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[(1-propyl-4-piperidyl)carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[(1-propyl-4-piperidinyl)amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[(1-propylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[(1-propyl-4-piperidyl)thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

Isomeric SMILES

CCCN1CCC(CC1)NC(=S)NC2=C(C(=C(S2)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C18H27N3O4S2/c1-5-8-21-9-6-12(7-10-21)19-18(26)20-15-13(16(22)24-3)11(2)14(27-15)17(23)25-4/h12H,5-10H2,1-4H3,(H2,19,20,26)