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

Systemtic Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C23H19N3O3S MolecularWeight: 417.48026

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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)CC4=CC=CC=C4)O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)CC4=CC=CC=C4)/O2

InChI

InChI=1S/C23H19N3O3S/c1-14-7-9-18-20(11-14)29-22(25-18)17-13-16(8-10-19(17)27)24-23(30)26-21(28)12-15-5-3-2-4-6-15/h2-11,13,25H,12H2,1H3,(H2,24,26,28,30)/b22-17+