N-(3,5-dimethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: N-(3,5-dimethoxyphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(3,5-dimethoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H27N3O3S2 MolecularWeight: 481.63018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C25H27N3O3S2/c1-16-8-10-18(11-9-16)27-25(32)28-19-6-5-7-23(14-19)33-17(2)24(29)26-20-12-21(30-3)15-22(13-20)31-4/h5-15,17H,1-4H3,(H,26,29)(H2,27,28,32)