N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-butoxy-benzamide CAS Name: 4-butoxy-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-4-butoxybenzamide Traditional Name: 4-butoxy-N-(2-butyramido-1,3-benzothiazol-6-yl)benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)NC(=O)CCC

InChI

InChI=1S/C22H25N3O3S/c1-3-5-13-28-17-10-7-15(8-11-17)21(27)23-16-9-12-18-19(14-16)29-22(24-18)25-20(26)6-4-2/h7-12,14H,3-6,13H2,1-2H3,(H,23,27)(H,24,25,26)