3-chloranyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxy-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-methoxy-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-methoxy-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-methoxybenzamide IUPAC Name: 3-chloro-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methoxybenzamide 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-methoxy-benzamide Formula: C24H20ClN3O4S MolecularWeight: 481.9513

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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)OC)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)OC)Cl)/N2

InChI

InChI=1S/C24H20ClN3O4S/c1-3-13-4-8-21-18(10-13)27-23(32-21)16-12-15(6-7-19(16)29)26-24(33)28-22(30)14-5-9-20(31-2)17(25)11-14/h4-12,27H,3H2,1-2H3,(H2,26,28,30,33)/b23-16+