(E)-3-azanyl-2-cyano-N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-enethioamide

Systemtic Name: (E)-3-azanyl-2-cyano-N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-enethioamide Openeye Name: (E)-3-amino-2-cyano-N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-enethioamide CAS Name: (E)-3-amino-2-cyano-N-(4-fluorophenyl)-3-(4-methyl-1-piperazinyl)-2-propenethioamide IUPAC Name: (E)-3-amino-2-cyano-N-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-enethioamide Traditional Name: (E)-3-amino-2-cyano-N-(4-fluorophenyl)-3-(4-methylpiperazino)thioacrylamide Formula: C15H18FN5S MolecularWeight: 319.400323

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=C(C#N)C(=S)NC2=CC=C(C=C2)F)N

Isomeric SMILES

CN1CCN(CC1)/C(=C(\C#N)/C(=S)NC2=CC=C(C=C2)F)/N

InChI

InChI=1S/C15H18FN5S/c1-20-6-8-21(9-7-20)14(18)13(10-17)15(22)19-12-4-2-11(16)3-5-12/h2-5H,6-9,18H2,1H3,(H,19,22)/b14-13+