N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide

Systemtic Name: N-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-chloro-2-methoxy-5-methyl-phenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(4-chloro-2-methoxy-5-methylphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(4-chloro-2-methoxy-5-methylphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(4-chloro-2-methoxy-5-methyl-phenyl)butyramide Formula: C27H28ClN3O3S2 MolecularWeight: 542.11252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28ClN3O3S2/c1-5-25(26(33)31-23-13-16(2)22(28)15-24(23)34-4)36-21-8-6-7-20(14-21)30-27(35)29-19-11-9-18(10-12-19)17(3)32/h6-15,25H,5H2,1-4H3,(H,31,33)(H2,29,30,35)