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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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