butyl 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate

Systemtic Name: butyl 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate Openeye Name: butyl 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate CAS Name: 3-(1H-indol-3-yl)-2-[[[4-(methylthio)anilino]-oxomethyl]amino]propanoic acid butyl ester IUPAC Name: butyl 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)carbamoylamino]propanoate Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)phenyl]carbamoylamino]propionic acid butyl ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC=C(C=C3)SC

Isomeric SMILES

CCCCOC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)NC3=CC=C(C=C3)SC

InChI

InChI=1S/C23H27N3O3S/c1-3-4-13-29-22(27)21(14-16-15-24-20-8-6-5-7-19(16)20)26-23(28)25-17-9-11-18(30-2)12-10-17/h5-12,15,21,24H,3-4,13-14H2,1-2H3,(H2,25,26,28)