N-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: N-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: N-[3-(dimethylamino)propyl]-4-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: N-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)sulfanyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-[3-(dimethylamino)propyl]-4-[(4-methoxyphenyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C23H28N4O4S2 MolecularWeight: 488.62282

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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)CCCSC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C)CCCN(C1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)CCCSC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N4O4S2/c1-25(2)13-5-14-26(23-24-20-12-7-17(27(29)30)16-21(20)33-23)22(28)6-4-15-32-19-10-8-18(31-3)9-11-19/h7-12,16H,4-6,13-15H2,1-3H3