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

Systemtic Name: 2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-iodophenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-iodophenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-iodophenyl)propionamide Formula: C24H22IN3O2S2 MolecularWeight: 575.48485

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)I)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C24H22IN3O2S2/c1-15(29)17-6-10-20(11-7-17)27-24(31)28-21-4-3-5-22(14-21)32-16(2)23(30)26-19-12-8-18(25)9-13-19/h3-14,16H,1-2H3,(H,26,30)(H2,27,28,31)