5-[2,5-bis(chloranyl)phenyl]-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-[2,5-bis(chloranyl)phenyl]-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Openeye Name: 5-(2,5-dichlorophenyl)-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide CAS Name: 5-(2,5-dichlorophenyl)-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(2,5-dichlorophenyl)-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Traditional Name: 5-(2,5-dichlorophenyl)-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-furamide Formula: C28H21Cl2N3O4S MolecularWeight: 566.45504

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC=C(O4)C5=C(C=CC(=C5)Cl)Cl)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=CC=C(O4)C5=C(C=CC(=C5)Cl)Cl)N2

InChI

InChI=1S/C28H21Cl2N3O4S/c1-3-15-4-7-23-21(11-15)32-27(37-23)19-13-17(10-14(2)25(19)34)31-28(38)33-26(35)24-9-8-22(36-24)18-12-16(29)5-6-20(18)30/h4-13,32H,3H2,1-2H3,(H2,31,33,35,38)