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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2-methoxy-phenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(5-chloro-2-methoxyphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2-methoxyphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(5-chloro-2-methoxy-phenyl)butyramide Formula: C26H26ClN3O3S2 MolecularWeight: 528.08594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26ClN3O3S2/c1-4-24(25(32)30-22-14-18(27)10-13-23(22)33-3)35-21-7-5-6-20(15-21)29-26(34)28-19-11-8-17(9-12-19)16(2)31/h5-15,24H,4H2,1-3H3,(H,30,32)(H2,28,29,34)