4-chloranyl-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide

Systemtic Name: 4-chloranyl-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Openeye Name: 4-chloro-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: 4-chloro-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: 4-chloro-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: 4-chloro-4-methyl-N-[[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]valeramide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)CCC(C)(C)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)CCC(C)(C)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-13-7-8-16-17(11-13)27-19(24-16)14-5-4-6-15(12-14)23-20(28)25-18(26)9-10-21(2,3)22/h4-8,11-12H,9-10H2,1-3H3,(H2,23,25,26,28)