N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C19H18N4O7S MolecularWeight: 446.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=C(C(=C3[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C19H18N4O7S/c1-9(24)20-10-5-6-12-14(7-10)31-19(21-12)22-18(25)11-8-13(28-2)16(29-3)17(30-4)15(11)23(26)27/h5-8H,1-4H3,(H,20,24)(H,21,22,25)