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

Systemtic Name: 4-ethoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H24N4O6S MolecularWeight: 520.55696

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

InChI

InChI=1S/C26H24N4O6S/c1-4-15-6-8-21-19(11-15)28-25(36-21)18-13-17(10-14(3)23(18)31)27-26(37)29-24(32)16-7-9-22(35-5-2)20(12-16)30(33)34/h6-13,28H,4-5H2,1-3H3,(H2,27,29,32,37)