N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-4-nitro-benzamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=C(C=C1)OC)N=C(S2)N(CCCN(C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-14-6-11-17(29-4)18-19(14)30-21(22-18)24(13-5-12-23(2)3)20(26)15-7-9-16(10-8-15)25(27)28/h6-11H,5,12-13H2,1-4H3