N,N-dimethyl-3-[3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]propanamide

Systemtic Name: N,N-dimethyl-3-[3-[2-(2-methylphenyl)ethanoylcarbamothioylamino]phenyl]propanamide Openeye Name: N,N-dimethyl-3-[3-[[2-(o-tolyl)acetyl]carbamothioylamino]phenyl]propanamide CAS Name: N,N-dimethyl-3-[3-[[[[2-(2-methylphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: N,N-dimethyl-3-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide Traditional Name: N,N-dimethyl-3-[3-[[2-(o-tolyl)acetyl]thiocarbamoylamino]phenyl]propionamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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