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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitrobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-methyl-1,3-benzothiazol-2-yl)-2-nitro-benzamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-14-8-6-11-17-18(14)21-20(28-17)23(13-7-12-22(2)3)19(25)15-9-4-5-10-16(15)24(26)27/h4-6,8-11H,7,12-13H2,1-3H3