N-[(4-dimethylaminophenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-dimethylaminophenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[(4-dimethylaminophenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[(4-dimethylaminophenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[(4-dimethylaminophenyl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(dimethylamino)benzyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S2/c1-21(2)13-5-3-12(4-6-13)10-19-17(23)11-26-18-20-15-8-7-14(22(24)25)9-16(15)27-18/h3-9H,10-11H2,1-2H3,(H,19,23)