4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-fluoro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(3-chloro-4-fluorophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(3-chloro-4-fluoro-phenyl)piperidine-1-carbothioamide Formula: C19H25ClFN3OS MolecularWeight: 397.937703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25ClFN3OS/c20-16-13-15(5-6-17(16)21)22-19(26)24-11-7-14(8-12-24)18(25)23-9-3-1-2-4-10-23/h5-6,13-14H,1-4,7-12H2,(H,22,26)