4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(2,6-dichlorophenyl)methyl]-N-(2-methoxy-5-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-dichlorobenzyl)-N-(2-methoxy-5-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H23Cl2N3OS MolecularWeight: 424.38712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H23Cl2N3OS/c1-14-6-7-19(26-2)18(12-14)23-20(27)25-10-8-24(9-11-25)13-15-16(21)4-3-5-17(15)22/h3-7,12H,8-11,13H2,1-2H3,(H,23,27)