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

Systemtic Name: diethyl 3-methyl-5-[(1-propan-2-ylpiperidin-4-yl)carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C20H31N3O4S2 MolecularWeight: 441.60784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCN(CC2)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CCN(CC2)C(C)C

InChI

InChI=1S/C20H31N3O4S2/c1-6-26-18(24)15-13(5)16(19(25)27-7-2)29-17(15)22-20(28)21-14-8-10-23(11-9-14)12(3)4/h12,14H,6-11H2,1-5H3,(H2,21,22,28)