4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(3-methylphenoxy)-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4S/c1-12-4-2-5-14(10-12)25-9-3-6-17(22)20-18-19-15-8-7-13(21(23)24)11-16(15)26-18/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H,19,20,22)