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

Systemtic Name: N-tert-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-tert-butyl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O3S2/c1-20(2,3)22(12-14-7-5-4-6-8-14)18(24)13-27-19-21-16-10-9-15(23(25)26)11-17(16)28-19/h4-11H,12-13H2,1-3H3