N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C29H23N3O3S MolecularWeight: 493.57622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)/O2

InChI

InChI=1S/C29H23N3O3S/c1-18-12-14-23-25(16-18)35-28(31-23)22-17-21(13-15-24(22)33)30-29(36)32-27(34)26(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17,26,31H,1H3,(H2,30,32,34,36)/b28-22+