N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-(4-methylphenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)-4-[1-(4-methylphenyl)carbonylpiperidin-4-yl]piperidine-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)-4-[1-(4-methylbenzoyl)-4-piperidyl]piperidine-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-4-[1-[(4-methylphenyl)-oxomethyl]-4-piperidinyl]-1-piperidinecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)-4-(1-p-toluoyl-4-piperidyl)piperidine-1-carbothioamide Formula: C25H29BrClN3OS MolecularWeight: 534.93926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)Br)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)C3CCN(CC3)C(=S)NC4=C(C=C(C=C4)Br)Cl

InChI

InChI=1S/C25H29BrClN3OS/c1-17-2-4-20(5-3-17)24(31)29-12-8-18(9-13-29)19-10-14-30(15-11-19)25(32)28-23-7-6-21(26)16-22(23)27/h2-7,16,18-19H,8-15H2,1H3,(H,28,32)