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

Systemtic Name: 4-[[(4-methylphenyl)-sulfanyl-carbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Openeye Name: 4-[[p-tolyl(sulfanyl)carbamoyl]amino]butyl 3-(p-tolylsulfonylcarbamoylamino)benzoate CAS Name: 3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]benzoic acid 4-[[(N-mercapto-4-methylanilino)-oxomethyl]amino]butyl ester IUPAC Name: 4-[[(4-methylphenyl)-sulfanylcarbamoyl]amino]butyl 3-[(4-methylphenyl)sulfonylcarbamoylamino]benzoate Traditional Name: 3-(tosylcarbamoylamino)benzoic acid 4-[[mercapto(p-tolyl)carbamoyl]amino]butyl ester Formula: C27H30N4O6S2 MolecularWeight: 570.6803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N4O6S2/c1-19-8-12-23(13-9-19)31(38)27(34)28-16-3-4-17-37-25(32)21-6-5-7-22(18-21)29-26(33)30-39(35,36)24-14-10-20(2)11-15-24/h5-15,18,38H,3-4,16-17H2,1-2H3,(H,28,34)(H2,29,30,33)