3-phenylpropyl 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C29H33N3O5S2 MolecularWeight: 567.71942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C29H33N3O5S2/c1-21-13-18-26(22(2)20-21)32-39(35,36)25-16-14-24(15-17-25)30-29(38)31-27(33)11-6-12-28(34)37-19-7-10-23-8-4-3-5-9-23/h3-5,8-9,13-18,20,32H,6-7,10-12,19H2,1-2H3,(H2,30,31,33,38)