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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-5-(3-chloranyl-4-methyl-phenyl)furan-2-carboxamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-5-(3-chloro-4-methyl-phenyl)furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)furan-2-carboxamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-5-(3-chloro-4-methyl-phenyl)-2-furamide Formula: C24H21ClN4O3S2 MolecularWeight: 513.03154

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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)C)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)C)Cl

InChI

InChI=1S/C24H21ClN4O3S2/c1-3-4-21(30)28-24-27-17-8-7-15(12-20(17)34-24)26-23(33)29-22(31)19-10-9-18(32-19)14-6-5-13(2)16(25)11-14/h5-12H,3-4H2,1-2H3,(H,27,28,30)(H2,26,29,31,33)