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

Systemtic Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(5-methyl-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methyl-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(5-methyl-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-3-26-20(25)15-5-7-17(8-6-15)24-21(27)22-11-10-16-13-23-19-9-4-14(2)12-18(16)19/h4-9,12-13,23H,3,10-11H2,1-2H3,(H2,22,24,27)