N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=N2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O3S/c1-9-3-4-10(2)14-13(9)17-16(23-14)18-15(20)11-5-7-12(8-6-11)19(21)22/h3-8H,1-2H3,(H,17,18,20)