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

Systemtic Name: N-[[4-oxidanylidene-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-oxo-3-(5-propan-2-yl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[3-(5-isopropyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=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

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

InChI

InChI=1S/C31H27N3O3S/c1-19(2)22-13-16-27-25(17-22)33-30(37-27)24-18-23(14-15-26(24)35)32-31(38)34-29(36)28(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-19,28,33H,1-2H3,(H2,32,34,36,38)