4-(azepan-1-ylcarbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-bromophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-bromophenyl)piperidine-1-carbothioamide Formula: C19H26BrN3OS MolecularWeight: 424.39824

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H26BrN3OS/c20-16-6-5-7-17(14-16)21-19(25)23-12-8-15(9-13-23)18(24)22-10-3-1-2-4-11-22/h5-7,14-15H,1-4,8-13H2,(H,21,25)