methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C20H21N3O5S2/c1-28-19(25)11-10-18(24)22-20(29)21-15-6-8-16(9-7-15)30(26,27)23-13-12-14-4-2-3-5-17(14)23/h2-9H,10-13H2,1H3,(H2,21,22,24,29)