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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(4-methoxyphenyl)-3-methyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(4-methoxyphenyl)-3-methylpiperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-(4-methoxyphenyl)-3-methyl-piperazine-1-carbothioamide Formula: C20H24BrN3OS MolecularWeight: 434.39306

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3OS/c1-14-12-16(4-9-19(14)21)22-20(26)23-10-11-24(15(2)13-23)17-5-7-18(25-3)8-6-17/h4-9,12,15H,10-11,13H2,1-3H3,(H,22,26)