3-methyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Openeye Name: N-[[2-(4-isopropylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: 3-methyl-N-[[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[(2-p-cumenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H25N3O2S/c1-13(2)11-20(26)25-22(28)23-17-9-10-19-18(12-17)24-21(27-19)16-7-5-15(6-8-16)14(3)4/h5-10,12-14H,11H2,1-4H3,(H2,23,25,26,28)