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

Systemtic Name: N-(2-methoxyethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(2-methoxyethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-(2-methoxyethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(2-methoxyethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-(2-methoxyethyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O4S2/c1-26-10-9-21(12-14-5-3-2-4-6-14)18(23)13-27-19-20-16-8-7-15(22(24)25)11-17(16)28-19/h2-8,11H,9-10,12-13H2,1H3