dimethyl 5-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(5-methoxy-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-methoxy-1H-indol-3-yl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C22H23N3O5S MolecularWeight: 441.50012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H23N3O5S/c1-28-17-4-5-19-18(11-17)13(12-24-19)6-7-23-22(31)25-16-9-14(20(26)29-2)8-15(10-16)21(27)30-3/h4-5,8-12,24H,6-7H2,1-3H3,(H2,23,25,31)