3-[(4-methylphenyl)-(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate

Systemtic Name: 3-[(4-methylphenyl)-(sulfanylcarbamoyl)amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[4-methyl-N-(sulfanylcarbamoyl)anilino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-(N-[(mercaptoamino)-oxomethyl]-4-methylanilino)propyl ester IUPAC Name: 3-[4-methyl-N-(sulfanylcarbamoyl)anilino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[N-(mercaptocarbamoyl)-4-methyl-anilino]propyl ester Formula: C26H28N4O6S2 MolecularWeight: 556.65372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCOC(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)NS

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCOC(=O)C2=CC=C(C=C2)NC(=O)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)NS

InChI

InChI=1S/C26H28N4O6S2/c1-18-4-12-22(13-5-18)30(26(33)28-37)16-3-17-36-24(31)20-8-10-21(11-9-20)27-25(32)29-38(34,35)23-14-6-19(2)7-15-23/h4-15,37H,3,16-17H2,1-2H3,(H,28,33)(H2,27,29,32)