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

Systemtic Name: N-(3,4-dichlorophenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,4-dichlorophenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(3,4-dichlorophenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(3,4-dichlorophenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(3,4-dichlorophenyl)butyramide Formula: C25H23Cl2N3O2S2 MolecularWeight: 532.50502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(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

CCC(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/C25H23Cl2N3O2S2/c1-3-23(24(32)28-19-11-12-21(26)22(27)14-19)34-20-6-4-5-18(13-20)30-25(33)29-17-9-7-16(8-10-17)15(2)31/h4-14,23H,3H2,1-2H3,(H,28,32)(H2,29,30,33)