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

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-methyl-2-[(4-nitrophenyl)thio]acetamide Formula: C16H13N3O3S2 MolecularWeight: 359.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13N3O3S2/c1-18(16-17-13-4-2-3-5-14(13)24-16)15(20)10-23-12-8-6-11(7-9-12)19(21)22/h2-9H,10H2,1H3