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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-nitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-nitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-nitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-nitrobenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-4-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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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