N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(4-nitrophenyl)thio]acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-12(18-19-15-5-3-4-6-16(15)26-18)20(2)17(22)11-25-14-9-7-13(8-10-14)21(23)24/h3-10,12H,11H2,1-2H3