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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S2/c1-10(2)21-8-6-12(7-9-21)19-18(26)20-15-13(16(22)24-4)11(3)14(27-15)17(23)25-5/h10,12H,6-9H2,1-5H3,(H2,19,20,26)