1-[4-methyl-2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]-3-phenethyl-urea

Systemtic Name: 1-[4-methyl-2-(phenylsulfonylamino)-1,3-benzothiazol-6-yl]-3-phenethyl-urea Openeye Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-phenethyl-urea CAS Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-phenethylurea IUPAC Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-phenethylurea Traditional Name: 1-[2-(benzenesulfonamido)-4-methyl-1,3-benzothiazol-6-yl]-3-phenethyl-urea Formula: C23H22N4O3S2 MolecularWeight: 466.57578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1N=C(S2)NS(=O)(=O)C3=CC=CC=C3)NC(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC2=C1N=C(S2)NS(=O)(=O)C3=CC=CC=C3)NC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O3S2/c1-16-14-18(25-22(28)24-13-12-17-8-4-2-5-9-17)15-20-21(16)26-23(31-20)27-32(29,30)19-10-6-3-7-11-19/h2-11,14-15H,12-13H2,1H3,(H,26,27)(H2,24,25,28)