N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-acetamide CAS Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(6-nitro-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S2/c1-22(2)11-6-12-23(19(25)14-28-16-7-4-3-5-8-16)20-21-17-10-9-15(24(26)27)13-18(17)29-20/h3-5,7-10,13H,6,11-12,14H2,1-2H3