N-(5-chloranyl-2-methoxy-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-m-anisyl-piperazine-1-carbothioamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24ClN3O2S/c1-25-17-5-3-4-15(12-17)14-23-8-10-24(11-9-23)20(27)22-18-13-16(21)6-7-19(18)26-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,27)