N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-ethanamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanyl-acetamide CAS Name: 2-[[3-[[anilino(sulfanylidene)methyl]amino]phenyl]thio]-N-(5-chloro-2,4-dimethoxyphenyl)acetamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylacetamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[[3-(phenylthiocarbamoylamino)phenyl]thio]acetamide Formula: C23H22ClN3O3S2 MolecularWeight: 488.02208

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)CSC2=CC=CC(=C2)NC(=S)NC3=CC=CC=C3)Cl)OC

InChI

InChI=1S/C23H22ClN3O3S2/c1-29-20-13-21(30-2)19(12-18(20)24)27-22(28)14-32-17-10-6-9-16(11-17)26-23(31)25-15-7-4-3-5-8-15/h3-13H,14H2,1-2H3,(H,27,28)(H2,25,26,31)