N-(4-bromanyl-3-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide CAS Name: N-(4-bromo-3-methylphenyl)-4-cyano-4-phenyl-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-3-methylphenyl)-4-cyano-4-phenylpiperidine-1-carbothioamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-4-cyano-4-phenyl-piperidine-1-carbothioamide Formula: C20H20BrN3S MolecularWeight: 414.3619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)N2CCC(CC2)(C#N)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H20BrN3S/c1-15-13-17(7-8-18(15)21)23-19(25)24-11-9-20(14-22,10-12-24)16-5-3-2-4-6-16/h2-8,13H,9-12H2,1H3,(H,23,25)