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

Systemtic Name: 4-ethoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H22N4O6S MolecularWeight: 506.53038

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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)OCC)[N+](=O)[O-])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)OCC)[N+](=O)[O-])/N2

InChI

InChI=1S/C25H22N4O6S/c1-3-14-5-9-21-18(11-14)27-24(35-21)17-13-16(7-8-20(17)30)26-25(36)28-23(31)15-6-10-22(34-4-2)19(12-15)29(32)33/h5-13,27H,3-4H2,1-2H3,(H2,26,28,31,36)/b24-17+