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

Systemtic Name: 2-chloranyl-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-(dimethylamino)propyl]-N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-5-nitro-benzamide Formula: C21H23ClN4O3S MolecularWeight: 446.95032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O3S/c1-13-10-14(2)19-18(11-13)23-21(30-19)25(9-5-8-24(3)4)20(27)16-12-15(26(28)29)6-7-17(16)22/h6-7,10-12H,5,8-9H2,1-4H3