N-(4-bromanyl-2-chloranyl-phenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-3-methyl-4-(p-tolyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-3-methyl-4-(4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-3-methyl-4-(4-methylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-3-methyl-4-(p-tolyl)piperazine-1-carbothioamide Formula: C19H21BrClN3S MolecularWeight: 438.81214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrClN3S/c1-13-3-6-16(7-4-13)24-10-9-23(12-14(24)2)19(25)22-18-8-5-15(20)11-17(18)21/h3-8,11,14H,9-10,12H2,1-2H3,(H,22,25)