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

Systemtic Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: N-(4-phenoxyphenyl)-2-[3-(p-tolylcarbamothioylamino)phenyl]sulfanyl-propanamide CAS Name: 2-[[3-[[(4-methylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[3-[(4-methylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: N-(4-phenoxyphenyl)-2-[[3-(p-tolylthiocarbamoylamino)phenyl]thio]propionamide Formula: C29H27N3O2S2 MolecularWeight: 513.67358

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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=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O2S2/c1-20-11-13-23(14-12-20)31-29(35)32-24-7-6-10-27(19-24)36-21(2)28(33)30-22-15-17-26(18-16-22)34-25-8-4-3-5-9-25/h3-19,21H,1-2H3,(H,30,33)(H2,31,32,35)