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

Systemtic Name: 3-phenylpropyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C28H29N3O5S2 MolecularWeight: 551.67696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O5S2/c32-26(16-17-27(33)36-20-6-9-21-7-2-1-3-8-21)30-28(37)29-23-12-14-24(15-13-23)38(34,35)31-19-18-22-10-4-5-11-25(22)31/h1-5,7-8,10-15H,6,9,16-20H2,(H2,29,30,32,37)