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

Systemtic Name: phenethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H27N3O5S2 MolecularWeight: 537.65038

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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)OCCC4=CC=CC=C4

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=S)NC(=O)CCC(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O5S2/c31-25(14-15-26(32)35-19-17-20-6-2-1-3-7-20)29-27(36)28-22-10-12-23(13-11-22)37(33,34)30-18-16-21-8-4-5-9-24(21)30/h1-13H,14-19H2,(H2,28,29,31,36)