N-benzo[e][1,3]benzothiazol-2-yl-4-imidazol-1-yl-3-nitro-benzamide

Systemtic Name: N-benzo[e][1,3]benzothiazol-2-yl-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-benzo[e][1,3]benzothiazol-2-yl-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-(2-benzo[e][1,3]benzothiazolyl)-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-benzo[e][1,3]benzothiazol-2-yl-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-benzo[e][1,3]benzothiazol-2-yl-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H13N5O3S MolecularWeight: 415.42462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2N=C(S3)NC(=O)C4=CC(=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O3S/c27-20(14-5-7-16(17(11-14)26(28)29)25-10-9-22-12-25)24-21-23-19-15-4-2-1-3-13(15)6-8-18(19)30-21/h1-12H,(H,23,24,27)