N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide

Systemtic Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Openeye Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide CAS Name: N-[[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]furan-2-carboxamide Traditional Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-furamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CO4)O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CO4)O2)C

InChI

InChI=1S/C21H17N3O4S/c1-11-8-12(2)18-15(9-11)23-20(28-18)14-6-5-13(10-16(14)25)22-21(29)24-19(26)17-4-3-7-27-17/h3-10,23H,1-2H3,(H2,22,24,26,29)