3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[4-[(2,6-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=C(C(=CC=C1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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