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

Systemtic Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-(6-acetamido-1,3-benzothiazol-2-yl)-4-(dimethylamino)-3-nitro-benzamide Formula: C18H17N5O4S MolecularWeight: 399.42368

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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(C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-10(24)19-12-5-6-13-16(9-12)28-18(20-13)21-17(25)11-4-7-14(22(2)3)15(8-11)23(26)27/h4-9H,1-3H3,(H,19,24)(H,20,21,25)