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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitrobenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-2-nitro-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=CC=C2Cl)C(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN4O3S/c1-22(2)11-6-12-23(18(25)13-7-3-4-9-15(13)24(26)27)19-21-17-14(20)8-5-10-16(17)28-19/h3-5,7-10H,6,11-12H2,1-2H3