3-[(4-methylphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-pentyl-urea

Systemtic Name: 3-[(4-methylphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-pentyl-urea Openeye Name: 1-pentyl-3-(p-tolylcarbamoyl)-1-(p-tolylsulfonyl)urea CAS Name: 3-[(4-methylanilino)-oxomethyl]-1-(4-methylphenyl)sulfonyl-1-pentylurea IUPAC Name: 3-[(4-methylphenyl)carbamoyl]-1-(4-methylphenyl)sulfonyl-1-pentylurea Traditional Name: 1-amyl-3-(p-tolylcarbamoyl)-1-tosyl-urea Formula: C21H27N3O4S MolecularWeight: 417.52178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCN(C(=O)NC(=O)NC1=CC=C(C=C1)C)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H27N3O4S/c1-4-5-6-15-24(29(27,28)19-13-9-17(3)10-14-19)21(26)23-20(25)22-18-11-7-16(2)8-12-18/h7-14H,4-6,15H2,1-3H3,(H2,22,23,25,26)