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

Systemtic Name: 3-chloranyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C24H20ClN3O3S MolecularWeight: 465.9519

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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)C4=CC(=C(C=C4)C)Cl)N2

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O3S/c1-3-14-5-9-21-19(10-14)27-23(31-21)17-12-16(7-8-20(17)29)26-24(32)28-22(30)15-6-4-13(2)18(25)11-15/h4-12,27H,3H2,1-2H3,(H2,26,28,30,32)/b23-17+