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

Systemtic Name: 4-methyl-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methyl-3-nitro-benzamide Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])O2

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])O2

InChI

InChI=1S/C23H18N4O5S/c1-12-3-7-17-20(9-12)32-22(25-17)16-11-15(6-8-19(16)28)24-23(33)26-21(29)14-5-4-13(2)18(10-14)27(30)31/h3-11,25H,1-2H3,(H2,24,26,29,33)