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

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-[(4-ethanoylphenyl)carbamothioylamino]phenyl]sulfanyl-propanamide Openeye Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxy-phenyl)propanamide CAS Name: 2-[[3-[[(4-acetylanilino)-sulfanylidenemethyl]amino]phenyl]thio]-N-(5-chloro-2,4-dimethoxyphenyl)propanamide IUPAC Name: 2-[3-[(4-acetylphenyl)carbamothioylamino]phenyl]sulfanyl-N-(5-chloro-2,4-dimethoxyphenyl)propanamide Traditional Name: 2-[[3-[(4-acetylphenyl)thiocarbamoylamino]phenyl]thio]-N-(5-chloro-2,4-dimethoxy-phenyl)propionamide Formula: C26H26ClN3O4S2 MolecularWeight: 544.08534

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C26H26ClN3O4S2/c1-15(31)17-8-10-18(11-9-17)28-26(35)29-19-6-5-7-20(12-19)36-16(2)25(32)30-22-13-21(27)23(33-3)14-24(22)34-4/h5-14,16H,1-4H3,(H,30,32)(H2,28,29,35)