3-azanyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-prop-2-enethioamide

Systemtic Name: 3-azanyl-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-prop-2-enethioamide Openeye Name: 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methyl-prop-2-enethioamide CAS Name: 3-amino-2-cyano-3-[4-(4-fluorophenyl)-1-piperazinyl]-N-methyl-2-propenethioamide IUPAC Name: 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazin-1-yl]-N-methylprop-2-enethioamide Traditional Name: 3-amino-2-cyano-3-[4-(4-fluorophenyl)piperazino]-N-methyl-thioacrylamide Formula: C15H18FN5S MolecularWeight: 319.400323

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)C(=C(N)N1CCN(CC1)C2=CC=C(C=C2)F)C#N

Isomeric SMILES

CNC(=S)C(=C(N)N1CCN(CC1)C2=CC=C(C=C2)F)C#N

InChI

InChI=1S/C15H18FN5S/c1-19-15(22)13(10-17)14(18)21-8-6-20(7-9-21)12-4-2-11(16)3-5-12/h2-5H,6-9,18H2,1H3,(H,19,22)