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

Systemtic Name: dipropan-2-yl 5-[[3-methoxycarbonyl-5-(phenylmethyl)thiophen-2-yl]carbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: diisopropyl 5-[(5-benzyl-3-methoxycarbonyl-2-thienyl)carbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[[3-methoxycarbonyl-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-methoxycarbonylthiophen-2-yl)carbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(5-benzyl-3-carbomethoxy-2-thienyl)thiocarbamoylamino]benzene-1,3-dicarboxylic acid diisopropyl ester Formula: C28H30N2O6S2 MolecularWeight: 554.6776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N2O6S2/c1-16(2)35-25(31)19-12-20(26(32)36-17(3)4)14-21(13-19)29-28(37)30-24-23(27(33)34-5)15-22(38-24)11-18-9-7-6-8-10-18/h6-10,12-17H,11H2,1-5H3,(H2,29,30,37)