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

Systemtic Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 2-[2-(5-methoxy-1H-indol-3-yl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-25-14-7-8-17-16(11-14)13(12-22-17)9-10-21-20(27)23-18-6-4-3-5-15(18)19(24)26-2/h3-8,11-12,22H,9-10H2,1-2H3,(H2,21,23,27)