1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea

Systemtic Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea Openeye Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea CAS Name: 1-(2-benzo[e][1,3]benzothiazolyl)-3-(4-nitrophenyl)urea IUPAC Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea Traditional Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-(4-nitrophenyl)urea Formula: C18H12N4O3S MolecularWeight: 364.37788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H12N4O3S/c23-17(19-12-6-8-13(9-7-12)22(24)25)21-18-20-16-14-4-2-1-3-11(14)5-10-15(16)26-18/h1-10H,(H2,19,20,21,23)