phenethyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C27H29N3O5S2 MolecularWeight: 539.66626

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)CCC(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H29N3O5S2/c1-30(20-22-10-6-3-7-11-22)37(33,34)24-14-12-23(13-15-24)28-27(36)29-25(31)16-17-26(32)35-19-18-21-8-4-2-5-9-21/h2-15H,16-20H2,1H3,(H2,28,29,31,36)