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

Systemtic Name: 2-chloranyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-5-iodo-benzamide Formula: C24H19ClIN3O3S MolecularWeight: 591.84843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=C(C3=O)C)NC(=S)NC(=O)C4=C(C=CC(=C4)I)Cl)N2

InChI

InChI=1S/C24H19ClIN3O3S/c1-3-13-4-7-20-19(9-13)28-23(32-20)17-11-15(8-12(2)21(17)30)27-24(33)29-22(31)16-10-14(26)5-6-18(16)25/h4-11,28H,3H2,1-2H3,(H2,27,29,31,33)