N-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide

Systemtic Name: N-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide Openeye Name: N-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]hexahydropyrimidine-1-carbothioamide CAS Name: N-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide IUPAC Name: N-(3,4-dimethylphenyl)-3-[(2-fluorophenyl)methyl]-1,3-diazinane-1-carbothioamide Traditional Name: N-(3,4-dimethylphenyl)-3-(2-fluorobenzyl)hexahydropyrimidine-1-carbothioamide Formula: C20H24FN3S MolecularWeight: 357.488063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCCN(C2)CC3=CC=CC=C3F)C

InChI

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