N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide

Systemtic Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methyl-valeramide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13(2)4-11-19(25)24-21(28)22-15-7-10-18-17(12-15)23-20(27-18)14-5-8-16(26-3)9-6-14/h5-10,12-13H,4,11H2,1-3H3,(H2,22,24,25,28)