N-(3-chloranyl-4-fluoranyl-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Formula: C17H14ClFN4S MolecularWeight: 360.836263

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2C(=NC3=CC=CC=C32)CN1C(=S)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN2C(=NC3=CC=CC=C32)CN1C(=S)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H14ClFN4S/c18-12-9-11(5-6-13(12)19)20-17(24)22-7-8-23-15-4-2-1-3-14(15)21-16(23)10-22/h1-6,9H,7-8,10H2,(H,20,24)