2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide

Systemtic Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-(4H-3,1-benzothiazin-2-ylsulfanyl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(4H-3,1-benzothiazin-2-ylthio)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3CS2)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=CC=CC=C3CS2)C

InChI

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