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

Systemtic Name: N-(4-ethanoylphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide Openeye Name: N-(4-acetylphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide CAS Name: N-(4-acetylphenyl)-2-[[6-(1-oxopropylamino)-1,3-benzothiazol-2-yl]thio]butanamide IUPAC Name: N-(4-acetylphenyl)-2-[[6-(propanoylamino)-1,3-benzothiazol-2-yl]sulfanyl]butanamide Traditional Name: N-(4-acetylphenyl)-2-[(6-propionamido-1,3-benzothiazol-2-yl)thio]butyramide Formula: C22H23N3O3S2 MolecularWeight: 441.56632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=C(S2)C=C(C=C3)NC(=O)CC

InChI

InChI=1S/C22H23N3O3S2/c1-4-18(21(28)24-15-8-6-14(7-9-15)13(3)26)29-22-25-17-11-10-16(12-19(17)30-22)23-20(27)5-2/h6-12,18H,4-5H2,1-3H3,(H,23,27)(H,24,28)