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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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