N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H17N3O3S MolecularWeight: 403.45368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC(=O)C(=C3NC4=CC=CC=C4O3)C=C2

InChI

InChI=1S/C22H17N3O3S/c26-18-13-15(23-22(29)25-20(27)12-14-6-2-1-3-7-14)10-11-16(18)21-24-17-8-4-5-9-19(17)28-21/h1-11,13,24H,12H2,(H2,23,25,27,29)