3-phenylpropyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H31N3O5S2 MolecularWeight: 565.70354

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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)CCCC(=O)OCCCC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H31N3O5S2/c33-27(13-6-14-28(34)37-21-7-10-22-8-2-1-3-9-22)31-29(38)30-24-15-17-25(18-16-24)39(35,36)32-20-19-23-11-4-5-12-26(23)32/h1-5,8-9,11-12,15-18H,6-7,10,13-14,19-21H2,(H2,30,31,33,38)