1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea

Systemtic Name: 1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea IUPAC Name: 1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C18H14N4O3S MolecularWeight: 366.39376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC2=C(C3=CC=CC=C31)N=C(S2)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O3S/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/h1-4,6-9H,5,10H2,(H2,19,20,21,23)