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

Systemtic Name: methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]ethanoate Openeye Name: methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate CAS Name: 2-[4-[[[2-(1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[2-(1H-indol-3-yl)ethylcarbamothioylamino]phenyl]acetate Traditional Name: 2-[4-[2-(1H-indol-3-yl)ethylthiocarbamoylamino]phenyl]acetic acid methyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)NC(=S)NCCC2=CNC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O2S/c1-25-19(24)12-14-6-8-16(9-7-14)23-20(26)21-11-10-15-13-22-18-5-3-2-4-17(15)18/h2-9,13,22H,10-12H2,1H3,(H2,21,23,26)