N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C25H22N4O6S MolecularWeight: 506.53038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=C(C(=C4)C)C)C(=O)C=C2)[N+](=O)[O-]

InChI

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