N-(1,3-benzothiazol-2-ylmethyl)-4-(dimethylamino)-3-nitro-benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O3S/c1-20(2)13-8-7-11(9-14(13)21(23)24)17(22)18-10-16-19-12-5-3-4-6-15(12)25-16/h3-9H,10H2,1-2H3,(H,18,22)