N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitro-phenoxy)ethanamide

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitro-phenoxy)ethanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitro-phenoxy)acetamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitrophenoxy)acetamide Traditional Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(2-methyl-4-nitro-phenoxy)acetamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])C)C

InChI

InChI=1S/C18H17N3O4S/c1-10-6-12(3)17-15(7-10)26-18(20-17)19-16(22)9-25-14-5-4-13(21(23)24)8-11(14)2/h4-8H,9H2,1-3H3,(H,19,20,22)