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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-furamide Formula: C23H19ClN4O3S2 MolecularWeight: 499.00496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

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