1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-(3-chlorophenyl)urea

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-(3-chlorophenyl)urea Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-(3-chlorophenyl)urea CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenyl]-3-(3-chlorophenyl)urea Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenyl]-3-(3-chlorophenyl)urea Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)NC(=O)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-14-11-17(28-13-21-25-19-7-2-3-8-20(19)29-21)9-10-18(14)26-22(27)24-16-6-4-5-15(23)12-16/h2-12H,13H2,1H3,(H2,24,26,27)