2-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-ethanoylphenyl)butanamide

Systemtic Name: 2-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]-N-(4-ethanoylphenyl)butanamide Openeye Name: N-(4-acetylphenyl)-2-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[[6-(1-oxobutylamino)-1,3-benzothiazol-2-yl]thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[[6-(butanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[(6-butyramido-1,3-benzothiazol-2-yl)thio]butyramide Formula: C23H25N3O3S2 MolecularWeight: 455.5929

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(CC)C(=O)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)N=C(S2)SC(CC)C(=O)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C23H25N3O3S2/c1-4-6-21(28)24-17-11-12-18-20(13-17)31-23(26-18)30-19(5-2)22(29)25-16-9-7-15(8-10-16)14(3)27/h7-13,19H,4-6H2,1-3H3,(H,24,28)(H,25,29)