N-(4-bromanyl-2-methyl-phenyl)-4-(4-methylphenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-4-(4-methylphenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-4-(4-methylbenzoyl)piperidine-1-carbothioamide CAS Name: N-(4-bromo-2-methylphenyl)-4-[(4-methylphenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-2-methylphenyl)-4-(4-methylbenzoyl)piperidine-1-carbothioamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-4-p-toluoyl-piperidine-1-carbothioamide Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NC3=C(C=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrN2OS/c1-14-3-5-16(6-4-14)20(25)17-9-11-24(12-10-17)21(26)23-19-8-7-18(22)13-15(19)2/h3-8,13,17H,9-12H2,1-2H3,(H,23,26)