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

Systemtic Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[4-(3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H21N3O3S MolecularWeight: 479.54964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=O)C(=C4NC5=CC=CC=C5O4)C=C3

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC(=S)NC3=CC(=O)C(=C4NC5=CC=CC=C5O4)C=C3

InChI

InChI=1S/C28H21N3O3S/c32-23-17-20(15-16-21(23)27-30-22-13-7-8-14-24(22)34-27)29-28(35)31-26(33)25(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17,25,30H,(H2,29,31,33,35)