N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitrobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-1,3-benzothiazol-2-yl)-3-nitro-benzamide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC=C2S1)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O4S/c1-22(2)11-6-12-23(19(25)14-7-4-8-15(13-14)24(26)27)20-21-18-16(28-3)9-5-10-17(18)29-20/h4-5,7-10,13H,6,11-12H2,1-3H3