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

Systemtic Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)ethanamide Openeye Name: N-(2-isopropoxyphenyl)-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-yloxyphenyl)acetamide IUPAC Name: 2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]-N-(2-propan-2-yloxyphenyl)acetamide Traditional Name: N-(2-isopropoxyphenyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]acetamide Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC=C1NC(=O)CSC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S2/c1-11(2)25-15-6-4-3-5-13(15)19-17(22)10-26-18-20-14-8-7-12(21(23)24)9-16(14)27-18/h3-9,11H,10H2,1-2H3,(H,19,22)