N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(3-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C18H20ClFN4S MolecularWeight: 378.894603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C18H20ClFN4S/c19-16-11-15(4-5-17(16)20)22-18(25)24-8-2-7-23(9-10-24)13-14-3-1-6-21-12-14/h1,3-6,11-12H,2,7-10,13H2,(H,22,25)