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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-butanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxy-phenyl)butanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(5-chloro-2,4-dimethoxyphenyl)butanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)butanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(5-chloro-2,4-dimethoxy-phenyl)butyramide Formula: C27H28ClN3O4S2 MolecularWeight: 558.11192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1OC)OC)Cl)SC2=CC=CC(=C2)NC(=S)NC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C27H28ClN3O4S2/c1-5-25(26(33)31-22-14-21(28)23(34-3)15-24(22)35-4)37-20-8-6-7-19(13-20)30-27(36)29-18-11-9-17(10-12-18)16(2)32/h6-15,25H,5H2,1-4H3,(H,31,33)(H2,29,30,36)