N-[3-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[3-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[3-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[3-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[3-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]phenyl]-2,2-dimethyl-propionamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H25N3O3S/c1-21(2,3)19(26)22-15-6-5-7-16(13-15)23-20(28)24-18(25)12-14-8-10-17(27-4)11-9-14/h5-11,13H,12H2,1-4H3,(H,22,26)(H2,23,24,25,28)