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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)Cl

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-26-19(25)10-13-2-5-16(6-3-13)24-20(27)22-9-8-14-12-23-18-7-4-15(21)11-17(14)18/h2-7,11-12,23H,8-10H2,1H3,(H2,22,24,27)