3-(1,3-benzothiazol-2-yl)-1-[(4-bromophenyl)methyl]-1-methyl-urea

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[(4-bromophenyl)methyl]-1-methyl-urea Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[(4-bromophenyl)methyl]-1-methyl-urea CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[(4-bromophenyl)methyl]-1-methylurea IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[(4-bromophenyl)methyl]-1-methylurea Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-(4-bromobenzyl)-1-methyl-urea Formula: C16H14BrN3OS MolecularWeight: 376.27086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)Br)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC=C(C=C1)Br)C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H14BrN3OS/c1-20(10-11-6-8-12(17)9-7-11)16(21)19-15-18-13-4-2-3-5-14(13)22-15/h2-9H,10H2,1H3,(H,18,19,21)