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

Systemtic Name: ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(5-methoxy-1H-indol-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(5-methoxy-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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