N-(4-bromanyl-3-chloranyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-chloranyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-chloro-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-chlorophenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-chlorophenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-chloro-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C19H21BrClN3OS MolecularWeight: 454.81154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)Br)Cl

Isomeric SMILES

CC1CN(CCN1C2=CC=C(C=C2)OC)C(=S)NC3=CC(=C(C=C3)Br)Cl

InChI

InChI=1S/C19H21BrClN3OS/c1-13-12-23(19(26)22-14-3-8-17(20)18(21)11-14)9-10-24(13)15-4-6-16(25-2)7-5-15/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,26)