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

Systemtic Name: ethyl (E)-3-azanyl-2-(methylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(methylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-2-[methylamino(sulfanylidene)methyl]-3-(4-phenyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(methylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-2-(methylthiocarbamoyl)-3-(4-phenylpiperazino)acrylic acid ethyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C2=CC=CC=C2)C(=S)NC

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C2=CC=CC=C2)/C(=S)NC

InChI

InChI=1S/C17H24N4O2S/c1-3-23-17(22)14(16(24)19-2)15(18)21-11-9-20(10-12-21)13-7-5-4-6-8-13/h4-8H,3,9-12,18H2,1-2H3,(H,19,24)/b15-14-