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

Systemtic Name: 4-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[(3E)-4-keto-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C23H18N4O6S MolecularWeight: 478.47722

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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)OC)[N+](=O)[O-])O2

Isomeric SMILES

CC1=CC2=C(C=C1)N/C(=C\3/C=C(C=CC3=O)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-])/O2

InChI

InChI=1S/C23H18N4O6S/c1-12-3-6-16-20(9-12)33-22(25-16)15-11-14(5-7-18(15)28)24-23(34)26-21(29)13-4-8-19(32-2)17(10-13)27(30)31/h3-11,25H,1-2H3,(H2,24,26,29,34)/b22-15+