ethyl 3-[4-[[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]propanoate

Systemtic Name: ethyl 3-[4-[[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]propanoate Openeye Name: ethyl 3-[4-[[(5-carbamothioyl-1H-indole-2-carbonyl)amino]methyl]phenyl]propanoate CAS Name: 3-[4-[[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]methyl]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[[(5-carbamothioyl-1H-indole-2-carbonyl)amino]methyl]phenyl]propanoate Traditional Name: 3-[4-[[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]propionic acid ethyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=S)N

Isomeric SMILES

CCOC(=O)CCC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=S)N

InChI

InChI=1S/C22H23N3O3S/c1-2-28-20(26)10-7-14-3-5-15(6-4-14)13-24-22(27)19-12-17-11-16(21(23)29)8-9-18(17)25-19/h3-6,8-9,11-12,25H,2,7,10,13H2,1H3,(H2,23,29)(H,24,27)