2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4,5-dimethyl-2-nitrophenyl)acetamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(4,5-dimethyl-2-nitrophenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(4,5-dimethyl-2-nitro-phenyl)acetamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)CSC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H14ClN3O3S2/c1-9-5-12(14(21(23)24)6-10(9)2)19-16(22)8-25-17-20-13-7-11(18)3-4-15(13)26-17/h3-7H,8H2,1-2H3,(H,19,22)