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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]acetamide CAS Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-N-o-cumenyl-acetamide Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O3S2/c1-11(2)13-5-3-4-6-14(13)19-17(22)10-25-18-20-15-8-7-12(21(23)24)9-16(15)26-18/h3-9,11H,10H2,1-2H3,(H,19,22)