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

Systemtic Name: 3-[[methyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[[methyl(sulfanyl)carbamoyl]amino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[[mercapto(methyl)amino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[methyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[[mercapto(methyl)carbamoyl]amino]propyl ester Formula: C20H24N4O6S2 MolecularWeight: 480.55776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCNC(=O)N(C)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)OCCCNC(=O)N(C)S

InChI

InChI=1S/C20H24N4O6S2/c1-14-4-10-17(11-5-14)32(28,29)23-19(26)22-16-8-6-15(7-9-16)18(25)30-13-3-12-21-20(27)24(2)31/h4-11,31H,3,12-13H2,1-2H3,(H,21,27)(H2,22,23,26)