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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)C)C)N2

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C3C=C(C=CC3=O)NC(=S)NC(=O)C4=C(C=C(C=C4)C)C)N2

InChI

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