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

Systemtic Name: N-(3,4-dichlorophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,4-dichlorophenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3,4-dichlorophenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,4-dichlorophenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3,4-dichlorophenyl)propionamide Formula: C24H21Cl2N3O2S2 MolecularWeight: 518.47844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21Cl2N3O2S2/c1-14(30)16-6-8-17(9-7-16)28-24(32)29-18-4-3-5-20(12-18)33-15(2)23(31)27-19-10-11-21(25)22(26)13-19/h3-13,15H,1-2H3,(H,27,31)(H2,28,29,32)