N-(3-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-3-[(4-fluorophenyl)methyl]hexahydropyrimidine-1-carbothioamide CAS Name: N-(3-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-3-[(4-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-3-(4-fluorobenzyl)hexahydropyrimidine-1-carbothioamide Formula: C20H24FN3S MolecularWeight: 357.488063

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3S/c1-2-16-5-3-6-19(13-16)22-20(25)24-12-4-11-23(15-24)14-17-7-9-18(21)10-8-17/h3,5-10,13H,2,4,11-12,14-15H2,1H3,(H,22,25)