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

Systemtic Name: 3-[[propyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 3-[[propyl(sulfanyl)carbamoyl]amino]propyl 4-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 4-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 3-[[[mercapto(propyl)amino]-oxomethyl]amino]propyl ester IUPAC Name: 3-[[propyl(sulfanyl)carbamoyl]amino]propyl 4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 4-(tosylcarbamoylamino)benzoic acid 3-[[mercapto(propyl)carbamoyl]amino]propyl ester Formula: C22H28N4O6S2 MolecularWeight: 508.61092

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)NCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

Isomeric SMILES

CCCN(C(=O)NCCCOC(=O)C1=CC=C(C=C1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)S

InChI

InChI=1S/C22H28N4O6S2/c1-3-14-26(33)22(29)23-13-4-15-32-20(27)17-7-9-18(10-8-17)24-21(28)25-34(30,31)19-11-5-16(2)6-12-19/h5-12,33H,3-4,13-15H2,1-2H3,(H,23,29)(H2,24,25,28)