N-(2,6-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: N-(2,6-dimethylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC=C3C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SC(C)C(=O)NC3=C(C=CC=C3C)C

InChI

InChI=1S/C25H27N3OS2/c1-16-11-13-20(14-12-16)26-25(30)27-21-9-6-10-22(15-21)31-19(4)24(29)28-23-17(2)7-5-8-18(23)3/h5-15,19H,1-4H3,(H,28,29)(H2,26,27,30)