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

Systemtic Name: ethyl (E)-3-azanyl-2-(phenylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(phenylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-2-[anilino(sulfanylidene)methyl]-3-(4-phenyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(phenylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-3-(4-phenylpiperazino)-2-(phenylthiocarbamoyl)acrylic acid ethyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C2=CC=CC=C2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C2=CC=CC=C2)/C(=S)NC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-2-28-22(27)19(21(29)24-17-9-5-3-6-10-17)20(23)26-15-13-25(14-16-26)18-11-7-4-8-12-18/h3-12H,2,13-16,23H2,1H3,(H,24,29)/b20-19-