N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carboxamide Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3SC)Cl)OC

InChI

InChI=1S/C20H24ClN3O3S/c1-26-17-13-18(27-2)15(12-14(17)21)22-20(25)24-10-8-23(9-11-24)16-6-4-5-7-19(16)28-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,25)