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

Systemtic Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[4-(5,7-dimethyl-3H-1,3-benzoxazol-2-ylidene)-3-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-2-nitro-benzamide Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])O2)C

Isomeric SMILES

CC1=CC(=C2C(=C1)NC(=C3C=CC(=CC3=O)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])O2)C

InChI

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