N-prop-2-enyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-prop-2-enyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Openeye Name: N-allyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide CAS Name: N-prop-2-enyl-4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-prop-2-enyl-4-[5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane-1-carbothioamide Traditional Name: N-allyl-4-[5-(trifluoromethyl)-2-pyridyl]-1,4-diazepane-1-carbothioamide Formula: C15H19F3N4S MolecularWeight: 344.39837

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

Isomeric SMILES

C=CCNC(=S)N1CCCN(CC1)C2=NC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N4S/c1-2-6-19-14(23)22-8-3-7-21(9-10-22)13-5-4-12(11-20-13)15(16,17)18/h2,4-5,11H,1,3,6-10H2,(H,19,23)