1-methyl-3-[[4-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-methyl-3-[[4-[[methyl-(4-methylphenyl)sulfonyl-amino]methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-methyl-3-[[4-[[methyl(p-tolylsulfonyl)amino]methyl]benzoyl]amino]thiourea CAS Name: 1-methyl-3-[[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-methyl-3-[[4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzoyl]amino]thiourea Traditional Name: 1-methyl-3-[[4-[[methyl(tosyl)amino]methyl]benzoyl]amino]thiourea Formula: C18H22N4O3S2 MolecularWeight: 406.52228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NNC(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC2=CC=C(C=C2)C(=O)NNC(=S)NC

InChI

InChI=1S/C18H22N4O3S2/c1-13-4-10-16(11-5-13)27(24,25)22(3)12-14-6-8-15(9-7-14)17(23)20-21-18(26)19-2/h4-11H,12H2,1-3H3,(H,20,23)(H2,19,21,26)