1-(2-bromophenyl)-3-[4-cyano-2,2-bis(oxidanylidene)-1,3-dihydro-2,1-benzothiazol-7-yl]urea

Systemtic Name: 1-(2-bromophenyl)-3-[4-cyano-2,2-bis(oxidanylidene)-1,3-dihydro-2,1-benzothiazol-7-yl]urea Openeye Name: 1-(2-bromophenyl)-3-(4-cyano-2,2-dioxo-1,3-dihydro-2,1-benzothiazol-7-yl)urea CAS Name: 1-(2-bromophenyl)-3-(4-cyano-2,2-dioxo-1,3-dihydro-2,1-benzothiazol-7-yl)urea IUPAC Name: 1-(2-bromophenyl)-3-(4-cyano-2,2-dioxo-1,3-dihydro-2,1-benzothiazol-7-yl)urea Traditional Name: 1-(2-bromophenyl)-3-(4-cyano-2,2-diketo-1,3-dihydro-2,1-benzothiazol-7-yl)urea Formula: C15H11BrN4O3S MolecularWeight: 407.24184

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2NS1(=O)=O)NC(=O)NC3=CC=CC=C3Br)C#N

Isomeric SMILES

C1C2=C(C=CC(=C2NS1(=O)=O)NC(=O)NC3=CC=CC=C3Br)C#N

InChI

InChI=1S/C15H11BrN4O3S/c16-11-3-1-2-4-12(11)18-15(21)19-13-6-5-9(7-17)10-8-24(22,23)20-14(10)13/h1-6,20H,8H2,(H2,18,19,21)