N-(2,6-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-ethanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(2,6-dimethylphenyl)acetamide Formula: C25H25N3O2S2 MolecularWeight: 463.6149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C25H25N3O2S2/c1-16-6-4-7-17(2)24(16)28-23(30)15-32-22-9-5-8-21(14-22)27-25(31)26-20-12-10-19(11-13-20)18(3)29/h4-14H,15H2,1-3H3,(H,28,30)(H2,26,27,31)