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

Systemtic Name: diethyl 3-methyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C24H32N3O4S2+ MolecularWeight: 490.65858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O4S2/c1-4-30-22(28)19-16(3)20(23(29)31-5-2)33-21(19)26-24(32)25-18-11-13-27(14-12-18)15-17-9-7-6-8-10-17/h6-10,18H,4-5,11-15H2,1-3H3,(H2,25,26,32)/p+1