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

Systemtic Name: N-[[(4E)-4-(5-chloranyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[(4E)-4-(5-chloro-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-furamide Formula: C19H12ClN3O4S MolecularWeight: 413.83428

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC(=S)NC2=CC(=O)C(=C3NC4=C(O3)C=CC(=C4)Cl)C=C2

Isomeric SMILES

C1=COC(=C1)C(=O)NC(=S)NC2=CC(=O)/C(=C/3\NC4=C(O3)C=CC(=C4)Cl)/C=C2

InChI

InChI=1S/C19H12ClN3O4S/c20-10-3-6-15-13(8-10)22-18(27-15)12-5-4-11(9-14(12)24)21-19(28)23-17(25)16-2-1-7-26-16/h1-9,22H,(H2,21,23,25,28)/b18-12+