diethyl 2-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate

Systemtic Name: diethyl 2-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,4-dicarboxylate Openeye Name: diethyl 2-[(5-benzyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[[[3-methoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-[(5-benzyl-3-methoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[(5-benzyl-3-carbomethoxy-2-thienyl)thiocarbamoylamino]benzene-1,4-dicarboxylic acid diethyl ester Formula: C26H26N2O6S2 MolecularWeight: 526.62444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)C(=O)OCC)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H26N2O6S2/c1-4-33-23(29)17-11-12-19(25(31)34-5-2)21(14-17)27-26(35)28-22-20(24(30)32-3)15-18(36-22)13-16-9-7-6-8-10-16/h6-12,14-15H,4-5,13H2,1-3H3,(H2,27,28,35)