N-(3-chloranyl-4-fluoranyl-phenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2-thiazolylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(1,3-thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(thiazol-2-ylmethyl)-1,4-diazepane-1-carbothioamide Formula: C16H18ClFN4S2 MolecularWeight: 384.922323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=NC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC(=C(C=C2)F)Cl)CC3=NC=CS3

InChI

InChI=1S/C16H18ClFN4S2/c17-13-10-12(2-3-14(13)18)20-16(23)22-6-1-5-21(7-8-22)11-15-19-4-9-24-15/h2-4,9-10H,1,5-8,11H2,(H,20,23)