N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(4-chlorophenyl)furan-2-carboxamide

Systemtic Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(4-chlorophenyl)furan-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]-2-furancarboxamide IUPAC Name: N-[2-(butanoylamino)-1,3-benzothiazol-6-yl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: N-(2-butyramido-1,3-benzothiazol-6-yl)-5-(4-chlorophenyl)-2-furamide Formula: C22H18ClN3O3S MolecularWeight: 439.91462

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O3S/c1-2-3-20(27)26-22-25-16-9-8-15(12-19(16)30-22)24-21(28)18-11-10-17(29-18)13-4-6-14(23)7-5-13/h4-12H,2-3H2,1H3,(H,24,28)(H,25,26,27)