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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClFN4S/c19-16-12-15(2-3-17(16)20)22-18(25)24-9-1-8-23(10-11-24)13-14-4-6-21-7-5-14/h2-7,12H,1,8-11,13H2,(H,22,25)