N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]propanamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanylpropanamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C26H29N3OS2 MolecularWeight: 463.65796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C(C)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C26H29N3OS2/c1-5-20-9-6-8-18(3)24(20)29-25(30)19(4)32-23-11-7-10-22(16-23)28-26(31)27-21-14-12-17(2)13-15-21/h6-16,19H,5H2,1-4H3,(H,29,30)(H2,27,28,31)