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

Systemtic Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)O/C(=C/3\C=C(C=CC3=O)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)/N2

InChI

InChI=1S/C30H25N3O3S/c1-2-19-13-16-26-24(17-19)32-29(36-26)23-18-22(14-15-25(23)34)31-30(37)33-28(35)27(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-18,27,32H,2H2,1H3,(H2,31,33,35,37)/b29-23+