3-nitro-N-(2-phenylazanyl-1,3-benzothiazol-4-yl)benzamide

Systemtic Name: 3-nitro-N-(2-phenylazanyl-1,3-benzothiazol-4-yl)benzamide Openeye Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3-nitro-benzamide CAS Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3-nitrobenzamide IUPAC Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3-nitrobenzamide Traditional Name: N-(2-anilino-1,3-benzothiazol-4-yl)-3-nitro-benzamide Formula: C20H14N4O3S MolecularWeight: 390.41516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=NC3=C(C=CC=C3S2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=NC3=C(C=CC=C3S2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H14N4O3S/c25-19(13-6-4-9-15(12-13)24(26)27)22-16-10-5-11-17-18(16)23-20(28-17)21-14-7-2-1-3-8-14/h1-12H,(H,21,23)(H,22,25)