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

Systemtic Name: 4-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Openeye Name: 4-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide CAS Name: 4-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 4-butoxy-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 4-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=C(C=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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