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

Systemtic Name: methyl 4-[2-(5-chloranyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[2-(5-chloro-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(5-chloro-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-25-18(24)12-2-5-15(6-3-12)23-19(26)21-9-8-13-11-22-17-7-4-14(20)10-16(13)17/h2-7,10-11,22H,8-9H2,1H3,(H2,21,23,26)