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

Systemtic Name: (E)-3-azanyl-2-cyano-3-(4-methylpiperazin-1-yl)-N-(phenylmethyl)prop-2-enethioamide Openeye Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enethioamide CAS Name: (E)-3-amino-2-cyano-3-(4-methyl-1-piperazinyl)-N-(phenylmethyl)-2-propenethioamide IUPAC Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enethioamide Traditional Name: (E)-3-amino-N-benzyl-2-cyano-3-(4-methylpiperazino)thioacrylamide Formula: C16H21N5S MolecularWeight: 315.43644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=C(C#N)C(=S)NCC2=CC=CC=C2)N

Isomeric SMILES

CN1CCN(CC1)/C(=C(\C#N)/C(=S)NCC2=CC=CC=C2)/N

InChI

InChI=1S/C16H21N5S/c1-20-7-9-21(10-8-20)15(18)14(11-17)16(22)19-12-13-5-3-2-4-6-13/h2-6H,7-10,12,18H2,1H3,(H,19,22)/b15-14+