3-methyl-N-[4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]butanamide

Systemtic Name: 3-methyl-N-[4-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]butanamide Openeye Name: 3-methyl-N-[4-[[2-(o-tolyl)acetyl]carbamothioylamino]phenyl]butanamide CAS Name: 3-methyl-N-[4-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]butanamide IUPAC Name: 3-methyl-N-[4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]butanamide Traditional Name: 3-methyl-N-[4-[[2-(o-tolyl)acetyl]thiocarbamoylamino]phenyl]butyramide Formula: C21H25N3O2S MolecularWeight: 383.5071

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

Isomeric SMILES

CC1=CC=CC=C1CC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC(C)C

InChI

InChI=1S/C21H25N3O2S/c1-14(2)12-19(25)22-17-8-10-18(11-9-17)23-21(27)24-20(26)13-16-7-5-4-6-15(16)3/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26,27)