2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3,4-dichlorophenyl)methylthio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(3,4-dichlorophenyl)methylsulfanyl]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3,4-dichlorobenzyl)thio]-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide Formula: C16H11Cl2N3O3S2 MolecularWeight: 428.31284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C16H11Cl2N3O3S2/c17-11-3-1-9(5-12(11)18)7-25-8-15(22)20-16-19-13-4-2-10(21(23)24)6-14(13)26-16/h1-6H,7-8H2,(H,19,20,22)