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

Systemtic Name: 3,5-dimethyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: 3,5-dimethyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethyl-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[4-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C26H25N3O2S MolecularWeight: 443.5606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)C(C)C)C

InChI

InChI=1S/C26H25N3O2S/c1-15(2)19-7-10-23-22(14-19)28-25(31-23)18-5-8-21(9-6-18)27-26(32)29-24(30)20-12-16(3)11-17(4)13-20/h5-15H,1-4H3,(H2,27,29,30,32)