ethyl (E)-3-azanyl-2-(methylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-(methylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(methylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-2-[methylamino(sulfanylidene)methyl]-3-(4-methyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(methylcarbamothioyl)-3-(4-methylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-3-(4-methylpiperazino)-2-(methylthiocarbamoyl)acrylic acid ethyl ester Formula: C12H22N4O2S MolecularWeight: 286.39368

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C)C(=S)NC

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C)/C(=S)NC

InChI

InChI=1S/C12H22N4O2S/c1-4-18-12(17)9(11(19)14-2)10(13)16-7-5-15(3)6-8-16/h4-8,13H2,1-3H3,(H,14,19)/b10-9-