2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Openeye Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(2,4,6-trimethylphenyl)propanamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)propanamide Traditional Name: N-mesityl-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propionamide Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H19N3O3S2/c1-10-7-11(2)17(12(3)8-10)21-18(23)13(4)26-19-20-15-6-5-14(22(24)25)9-16(15)27-19/h5-9,13H,1-4H3,(H,21,23)