methyl 2-[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamothioylamino]phenyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=C(C=C3)CC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2CCNC(=S)NC3=CC=C(C=C3)CC(=O)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-17-7-8-19-18(12-17)15(13-23-19)9-10-22-21(28)24-16-5-3-14(4-6-16)11-20(25)27-2/h3-8,12-13,23H,9-11H2,1-2H3,(H2,22,24,28)