N-(4-bromanyl-2-chloranyl-phenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-(p-tolylmethyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[(4-methylphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(4-methylbenzyl)piperazine-1-carbothioamide Formula: C19H21BrClN3S MolecularWeight: 438.81214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H21BrClN3S/c1-14-2-4-15(5-3-14)13-23-8-10-24(11-9-23)19(25)22-18-7-6-16(20)12-17(18)21/h2-7,12H,8-11,13H2,1H3,(H,22,25)