N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-(phenylcarbonyl)benzamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-(phenylcarbonyl)benzamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-benzoyl-benzamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-benzoylbenzamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitrophenyl]-4-benzoylbenzamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-nitro-phenyl]-4-benzoyl-benzamide Formula: C27H17N3O4S MolecularWeight: 479.50658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H17N3O4S/c31-25(17-6-2-1-3-7-17)18-10-12-19(13-11-18)26(32)28-23-16-20(30(33)34)14-15-21(23)27-29-22-8-4-5-9-24(22)35-27/h1-16H,(H,28,32)