2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)ethanamide

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)ethanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)acetamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]acetamide Formula: C28H25N3O2S2 MolecularWeight: 499.647

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NC2=CC(=CC=C2)SCC(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O2S2/c1-20-10-12-22(13-11-20)30-28(34)31-23-6-5-9-26(18-23)35-19-27(32)29-21-14-16-25(17-15-21)33-24-7-3-2-4-8-24/h2-18H,19H2,1H3,(H,29,32)(H2,30,31,34)