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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-(2-ethoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-(2-ethoxyphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-o-phenetyl-piperazine-1-carbothioamide Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Br)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)Br)C

InChI

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