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

Systemtic Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-5-methyl-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[(3E)-3-(3H-1,3-benzoxazol-2-ylidene)-4-keto-5-methyl-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]-4-butoxy-benzamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=CC=CC=C4O3)C(=O)C(=C2)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=CC=CC=C4O3)/C(=O)C(=C2)C

InChI

InChI=1S/C26H25N3O4S/c1-3-4-13-32-19-11-9-17(10-12-19)24(31)29-26(34)27-18-14-16(2)23(30)20(15-18)25-28-21-7-5-6-8-22(21)33-25/h5-12,14-15,28H,3-4,13H2,1-2H3,(H2,27,29,31,34)/b25-20+