N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C17H14N4O4S MolecularWeight: 370.38246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)NC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C17H14N4O4S/c1-9-7-11(3-6-14(9)21(24)25)16(23)20-17-19-13-5-4-12(18-10(2)22)8-15(13)26-17/h3-8H,1-2H3,(H,18,22)(H,19,20,23)