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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19ClIN3O3S/c1-12(2)13-3-8-21-19(9-13)28-23(32-21)16-6-5-15(11-20(16)30)27-24(33)29-22(31)17-10-14(26)4-7-18(17)25/h3-12,28H,1-2H3,(H2,27,29,31,33)/b23-16+