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

Systemtic Name: dimethyl 5-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-19(25)14-9-15(20(26)28-2)11-16(10-14)24-21(29)22-8-7-13-12-23-18-6-4-3-5-17(13)18/h3-6,9-12,23H,7-8H2,1-2H3,(H2,22,24,29)