3-phenylpropyl 4-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoylamino]butyric acid 3-phenylpropyl ester Formula: C27H29N3O6S2 MolecularWeight: 555.66566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O6S2/c1-35-23-13-9-22(10-14-23)30-38(33,34)24-15-11-21(12-16-24)28-27(37)29-25(31)17-18-26(32)36-19-5-8-20-6-3-2-4-7-20/h2-4,6-7,9-16,30H,5,8,17-19H2,1H3,(H2,28,29,31,37)