S-(3-phenylpropyl) 1-(3-bromophenyl)carbonylpiperidine-4-carbothioate

Systemtic Name: S-(3-phenylpropyl) 1-(3-bromophenyl)carbonylpiperidine-4-carbothioate Openeye Name: S-(3-phenylpropyl) 1-(3-bromobenzoyl)piperidine-4-carbothioate CAS Name: 1-[(3-bromophenyl)-oxomethyl]-4-piperidinecarbothioic acid S-(3-phenylpropyl) ester IUPAC Name: S-(3-phenylpropyl) 1-(3-bromobenzoyl)piperidine-4-carbothioate Traditional Name: 1-(3-bromobenzoyl)piperidine-4-carbothioic acid S-(3-phenylpropyl) ester Formula: C22H24BrNO2S MolecularWeight: 446.40046

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)SCCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCC1C(=O)SCCCC2=CC=CC=C2)C(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C22H24BrNO2S/c23-20-10-4-9-19(16-20)21(25)24-13-11-18(12-14-24)22(26)27-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,16,18H,5,8,11-15H2