ethyl 4-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(5-chloro-1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(5-chloro-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(5-chloro-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O2S/c1-2-26-19(25)13-3-6-16(7-4-13)24-20(27)22-10-9-14-12-23-18-8-5-15(21)11-17(14)18/h3-8,11-12,23H,2,9-10H2,1H3,(H2,22,24,27)