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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitrobenzamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitrobenzamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-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)10-5-11-23(18(25)13-6-3-7-14(12-13)24(26)27)19-21-17-15(20)8-4-9-16(17)28-19/h3-4,6-9,12H,5,10-11H2,1-2H3