N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitro-benzamide CAS Name: N-[[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[[(3E)-3-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC(=CC(=C4O3)C)C)C(=O)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC(=CC(=C4O3)C)C)/C(=O)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c1-12-8-14(3)21-18(9-12)26-23(33-21)17-11-16(6-7-20(17)29)25-24(34)27-22(30)15-5-4-13(2)19(10-15)28(31)32/h4-11,26H,1-3H3,(H2,25,27,30,34)/b23-17+