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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)CC)C(=O)C=C2

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)CC)/C(=O)C=C2

InChI

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