methyl 4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]butanoate CAS Name: 4-[[[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]carbamothioylamino]butanoate Traditional Name: 4-[[(2S)-2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]thiocarbamoylamino]butyric acid methyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=S)NCCCC(=O)OC)C2=CNC3=CC=CC=C32

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=S)NCCCC(=O)OC)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C23H27N3O3S/c1-28-17-11-9-16(10-12-17)19(20-15-25-21-7-4-3-6-18(20)21)14-26-23(30)24-13-5-8-22(27)29-2/h3-4,6-7,9-12,15,19,25H,5,8,13-14H2,1-2H3,(H2,24,26,30)/t19-/m0/s1