N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxy-benzamide

Systemtic Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxy-benzamide Openeye Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxy-benzamide CAS Name: N-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-ethoxybenzamide IUPAC Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-ethoxybenzamide Traditional Name: N-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-ethoxy-benzamide Formula: C25H23N3O3S MolecularWeight: 445.53342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)C)C

InChI

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