N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitrobenzamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitrobenzamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-[3-(dimethylamino)propyl]-3-nitro-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(C=CC(=C2S1)Cl)OC)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-23(2)10-5-11-24(19(26)13-6-4-7-14(12-13)25(27)28)20-22-17-16(29-3)9-8-15(21)18(17)30-20/h4,6-9,12H,5,10-11H2,1-3H3