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

Systemtic Name: 4-ethyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Openeye Name: 4-ethyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide CAS Name: 4-ethyl-N-[[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-ethyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]carbamothioyl]benzamide Traditional Name: 4-ethyl-N-[[(3E)-3-(5-ethyl-3H-1,3-benzoxazol-2-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]thiocarbamoyl]benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C3NC4=C(O3)C=CC(=C4)CC)C(=O)C=C2

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C/C(=C\3/NC4=C(O3)C=CC(=C4)CC)/C(=O)C=C2

InChI

InChI=1S/C25H23N3O3S/c1-3-15-5-8-17(9-6-15)23(30)28-25(32)26-18-10-11-21(29)19(14-18)24-27-20-13-16(4-2)7-12-22(20)31-24/h5-14,27H,3-4H2,1-2H3,(H2,26,28,30,32)/b24-19+