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

Systemtic Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C25H23N3O5S MolecularWeight: 477.53222

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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)OC)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)OC)/N2

InChI

InChI=1S/C25H23N3O5S/c1-4-14-5-9-20-18(11-14)27-24(33-20)17-13-16(7-8-19(17)29)26-25(34)28-23(30)15-6-10-21(31-2)22(12-15)32-3/h5-13,27H,4H2,1-3H3,(H2,26,28,30,34)/b24-17+