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

Systemtic Name: 3-azanyl-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-prop-2-enethioamide Openeye Name: 3-amino-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-prop-2-enethioamide CAS Name: 3-amino-2-cyano-3-[4-(4-methoxyphenyl)-1-piperazinyl]-N-methyl-2-propenethioamide IUPAC Name: 3-amino-2-cyano-3-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methylprop-2-enethioamide Traditional Name: 3-amino-2-cyano-3-[4-(4-methoxyphenyl)piperazino]-N-methyl-thioacrylamide Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS/c1-19-16(23)14(11-17)15(18)21-9-7-20(8-10-21)12-3-5-13(22-2)6-4-12/h3-6H,7-10,18H2,1-2H3,(H,19,23)