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

Systemtic Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-yl-benzamide Openeye Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-isopropyl-benzamide CAS Name: N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-propan-2-ylbenzamide IUPAC Name: N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-propan-2-ylbenzamide Traditional Name: 4-isopropyl-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C26H25N3O3S MolecularWeight: 459.56

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H25N3O3S/c1-4-31-21-12-9-19(10-13-21)25-28-22-15-20(11-14-23(22)32-25)27-26(33)29-24(30)18-7-5-17(6-8-18)16(2)3/h5-16H,4H2,1-3H3,(H2,27,29,30,33)