4-(4-chloranyl-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(4-chloranyl-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-chloro-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-chloro-2-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(4-chloro-2-methyl-phenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16ClN3O4S/c1-11-9-12(19)4-7-15(11)26-8-2-3-17(23)21-18-20-14-6-5-13(22(24)25)10-16(14)27-18/h4-7,9-10H,2-3,8H2,1H3,(H,20,21,23)