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

Systemtic Name: dimethyl 5-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[2-(5-chloro-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(5-chloro-1H-indol-3-yl)ethylcarbamothioylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[2-(5-chloro-1H-indol-3-yl)ethylthiocarbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H20ClN3O4S MolecularWeight: 445.9192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C21H20ClN3O4S/c1-28-19(26)13-7-14(20(27)29-2)9-16(8-13)25-21(30)23-6-5-12-11-24-18-4-3-15(22)10-17(12)18/h3-4,7-11,24H,5-6H2,1-2H3,(H2,23,25,30)