N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitrobenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-3,5-dinitro-benzamide Formula: C21H23N5O5S MolecularWeight: 457.50282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-13-8-14(2)19-18(9-13)22-21(32-19)24(7-5-6-23(3)4)20(27)15-10-16(25(28)29)12-17(11-15)26(30)31/h8-12H,5-7H2,1-4H3