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

Systemtic Name: 3-chloranyl-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methyl-benzamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22ClN3O3S/c1-4-15-6-8-21-20(10-15)28-24(32-21)18-12-17(9-14(3)22(18)30)27-25(33)29-23(31)16-7-5-13(2)19(26)11-16/h5-12,28H,4H2,1-3H3,(H2,27,29,31,33)