5,5-dimethyl-2-[(2-nitrophenyl)sulfanylamino]-4,6-dihydro-1,3-benzothiazol-7-one

Systemtic Name: 5,5-dimethyl-2-[(2-nitrophenyl)sulfanylamino]-4,6-dihydro-1,3-benzothiazol-7-one Openeye Name: 5,5-dimethyl-2-[(2-nitrophenyl)sulfanylamino]-4,6-dihydro-1,3-benzothiazol-7-one CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-2-nitrobenzenesulfenamide IUPAC Name: 5,5-dimethyl-2-[(2-nitrophenyl)sulfanylamino]-4,6-dihydro-1,3-benzothiazol-7-one Traditional Name: 5,5-dimethyl-2-[[(2-nitrophenyl)thio]amino]-4,6-dihydro-1,3-benzothiazol-7-one Formula: C15H15N3O3S2 MolecularWeight: 349.4279

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NSC3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NSC3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C15H15N3O3S2/c1-15(2)7-9-13(11(19)8-15)22-14(16-9)17-23-12-6-4-3-5-10(12)18(20)21/h3-6H,7-8H2,1-2H3,(H,16,17)