1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-(phenylmethyl)urea

Systemtic Name: 1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-(phenylmethyl)urea Openeye Name: 1-benzyl-3-[2-(p-tolylsulfonylamino)-1,3-benzothiazol-6-yl]urea CAS Name: 1-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]-3-(phenylmethyl)urea IUPAC Name: 1-benzyl-3-[2-[(4-methylphenyl)sulfonylamino]-1,3-benzothiazol-6-yl]urea Traditional Name: 1-benzyl-3-[2-(tosylamino)-1,3-benzothiazol-6-yl]urea Formula: C22H20N4O3S2 MolecularWeight: 452.5492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S2/c1-15-7-10-18(11-8-15)31(28,29)26-22-25-19-12-9-17(13-20(19)30-22)24-21(27)23-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)(H2,23,24,27)