dipropan-2-yl 5-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dipropan-2-yl 5-[[3-ethoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(5-benzyl-3-ethoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[3-ethoxycarbonyl-5-(phenylmethyl)-2-thiophenyl]amino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dipropan-2-yl ester IUPAC Name: dipropan-2-yl 5-[(5-benzyl-3-ethoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-benzyl-3-carbethoxy-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C29H32N2O6S2 MolecularWeight: 568.70418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(=O)OC(C)C)C(=O)OC(C)C

InChI

InChI=1S/C29H32N2O6S2/c1-6-35-28(34)24-16-23(12-19-10-8-7-9-11-19)39-25(24)31-29(38)30-22-14-20(26(32)36-17(2)3)13-21(15-22)27(33)37-18(4)5/h7-11,13-18H,6,12H2,1-5H3,(H2,30,31,38)