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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide CAS Name: 5-(4-chlorophenyl)-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-5-(4-chlorophenyl)furan-2-carboxamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-5-(4-chlorophenyl)-2-furamide Formula: C23H19ClN4O3S2 MolecularWeight: 499.00496

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C23H19ClN4O3S2/c1-2-3-20(29)27-23-26-16-9-8-15(12-19(16)33-23)25-22(32)28-21(30)18-11-10-17(31-18)13-4-6-14(24)7-5-13/h4-12H,2-3H2,1H3,(H,26,27,29)(H2,25,28,30,32)