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

Systemtic Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C22H16N4O5S MolecularWeight: 448.45124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O5S/c1-12-14(5-4-7-17(12)26(29)30)20(28)25-22(32)23-13-9-10-18(27)15(11-13)21-24-16-6-2-3-8-19(16)31-21/h2-11,24H,1H3,(H2,23,25,28,32)