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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-[(3,4-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-(3,4-dichlorobenzyl)piperazine-1-carbothioamide Formula: C19H20Cl3N3OS MolecularWeight: 444.8056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20Cl3N3OS/c1-26-18-5-3-14(20)11-17(18)23-19(27)25-8-6-24(7-9-25)12-13-2-4-15(21)16(22)10-13/h2-5,10-11H,6-9,12H2,1H3,(H,23,27)