tert-butyl 2-[4-[(6-carbamothioyl-1-methyl-indol-2-yl)carbonylamino]phenoxy]ethanoate

Systemtic Name: tert-butyl 2-[4-[(6-carbamothioyl-1-methyl-indol-2-yl)carbonylamino]phenoxy]ethanoate Openeye Name: tert-butyl 2-[4-[(6-carbamothioyl-1-methyl-indole-2-carbonyl)amino]phenoxy]acetate CAS Name: 2-[4-[[(6-carbamothioyl-1-methyl-2-indolyl)-oxomethyl]amino]phenoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[(6-carbamothioyl-1-methylindole-2-carbonyl)amino]phenoxy]acetate Traditional Name: 2-[4-[(1-methyl-6-thiocarbamoyl-indole-2-carbonyl)amino]phenoxy]acetic acid tert-butyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2C)C=C(C=C3)C(=S)N

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC=C(C=C1)NC(=O)C2=CC3=C(N2C)C=C(C=C3)C(=S)N

InChI

InChI=1S/C23H25N3O4S/c1-23(2,3)30-20(27)13-29-17-9-7-16(8-10-17)25-22(28)19-11-14-5-6-15(21(24)31)12-18(14)26(19)4/h5-12H,13H2,1-4H3,(H2,24,31)(H,25,28)