3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 3-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

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