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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C30H27N3O3S2 MolecularWeight: 541.68368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=CC=CC(=C3)NC(=S)NC4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C30H27N3O3S2/c1-20(34)22-11-13-24(14-12-22)32-30(37)33-25-7-6-10-28(19-25)38-21(2)29(35)31-23-15-17-27(18-16-23)36-26-8-4-3-5-9-26/h3-19,21H,1-2H3,(H,31,35)(H2,32,33,37)