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

Systemtic Name: ethyl 2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 2-[[[2-(5-methoxy-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=S)NCCC2=CNC3=C2C=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=S)NCCC2=CNC3=C2C=C(C=C3)OC

InChI

InChI=1S/C21H23N3O3S/c1-3-27-20(25)16-6-4-5-7-19(16)24-21(28)22-11-10-14-13-23-18-9-8-15(26-2)12-17(14)18/h4-9,12-13,23H,3,10-11H2,1-2H3,(H2,22,24,28)