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

Systemtic Name: ethyl 2-[4-[[(5-carbamothioyl-1H-indol-2-yl)carbonylamino]methyl]phenyl]ethanoate Openeye Name: ethyl 2-[4-[[(5-carbamothioyl-1H-indole-2-carbonyl)amino]methyl]phenyl]acetate CAS Name: 2-[4-[[[(5-carbamothioyl-1H-indol-2-yl)-oxomethyl]amino]methyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(5-carbamothioyl-1H-indole-2-carbonyl)amino]methyl]phenyl]acetate Traditional Name: 2-[4-[[(5-thiocarbamoyl-1H-indole-2-carbonyl)amino]methyl]phenyl]acetic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=S)N

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=S)N

InChI

InChI=1S/C21H21N3O3S/c1-2-27-19(25)9-13-3-5-14(6-4-13)12-23-21(26)18-11-16-10-15(20(22)28)7-8-17(16)24-18/h3-8,10-11,24H,2,9,12H2,1H3,(H2,22,28)(H,23,26)