1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-bromophenyl)methylideneamino]urea

Systemtic Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-bromophenyl)methylideneamino]urea Openeye Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-bromophenyl)methyleneamino]urea CAS Name: 1-(2-benzo[e][1,3]benzothiazolyl)-3-[(E)-(4-bromophenyl)methylideneamino]urea IUPAC Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-bromophenyl)methylideneamino]urea Traditional Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-bromobenzylidene)amino]urea Formula: C19H13BrN4OS MolecularWeight: 425.30172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)NN=CC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)N/N=C/C4=CC=C(C=C4)Br

InChI

InChI=1S/C19H13BrN4OS/c20-14-8-5-12(6-9-14)11-21-24-18(25)23-19-22-17-15-4-2-1-3-13(15)7-10-16(17)26-19/h1-11H,(H2,22,23,24,25)/b21-11+