N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide IUPAC Name: N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(3-chlorophenyl)ethyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C17H14ClN3O3S2 MolecularWeight: 407.89436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Cl)CCNC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S2/c18-12-3-1-2-11(8-12)6-7-19-16(22)10-25-17-20-14-5-4-13(21(23)24)9-15(14)26-17/h1-5,8-9H,6-7,10H2,(H,19,22)