N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitrobenzamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-4-(methylamino)-3-nitro-benzamide Formula: C17H16N4O3S MolecularWeight: 356.39894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O3S/c1-9-6-10(2)15-14(7-9)25-17(19-15)20-16(22)11-4-5-12(18-3)13(8-11)21(23)24/h4-8,18H,1-3H3,(H,19,20,22)