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

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carbothioamide Formula: C18H17ClN4S MolecularWeight: 356.87238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN3C(=NC4=CC=CC=C43)C2)Cl

InChI

InChI=1S/C18H17ClN4S/c1-12-6-7-13(10-14(12)19)20-18(24)22-8-9-23-16-5-3-2-4-15(16)21-17(23)11-22/h2-7,10H,8-9,11H2,1H3,(H,20,24)