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

Systemtic Name: N-[4-[2-(4-methoxyphenyl)ethanoylcarbamothioylamino]phenyl]-3-methyl-butanamide Openeye Name: N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methyl-butanamide CAS Name: N-[4-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-methylbutanamide IUPAC Name: N-[4-[[2-(4-methoxyphenyl)acetyl]carbamothioylamino]phenyl]-3-methylbutanamide Traditional Name: N-[4-[[2-(4-methoxyphenyl)acetyl]thiocarbamoylamino]phenyl]-3-methyl-butyramide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-14(2)12-19(25)22-16-6-8-17(9-7-16)23-21(28)24-20(26)13-15-4-10-18(27-3)11-5-15/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26,28)