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

Systemtic Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-nitrophenyl)methylideneamino]urea Openeye Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-nitrophenyl)methyleneamino]urea CAS Name: 1-(2-benzo[e][1,3]benzothiazolyl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea IUPAC Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-nitrophenyl)methylideneamino]urea Traditional Name: 1-benzo[e][1,3]benzothiazol-2-yl-3-[(E)-(4-nitrobenzylidene)amino]urea Formula: C19H13N5O3S MolecularWeight: 391.40322

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H13N5O3S/c25-18(23-20-11-12-5-8-14(9-6-12)24(26)27)22-19-21-17-15-4-2-1-3-13(15)7-10-16(17)28-19/h1-11H,(H2,21,22,23,25)/b20-11+