ethyl (E)-3-azanyl-2-[(phenylmethyl)carbamothioyl]-3-(4-phenylpiperazin-1-yl)prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[(phenylmethyl)carbamothioyl]-3-(4-phenylpiperazin-1-yl)prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate CAS Name: (E)-3-amino-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-3-(4-phenyl-1-piperazinyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)-3-(4-phenylpiperazin-1-yl)prop-2-enoate Traditional Name: (E)-3-amino-2-(benzylthiocarbamoyl)-3-(4-phenylpiperazino)acrylic acid ethyl ester Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C2=CC=CC=C2)C(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C2=CC=CC=C2)/C(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4O2S/c1-2-29-23(28)20(22(30)25-17-18-9-5-3-6-10-18)21(24)27-15-13-26(14-16-27)19-11-7-4-8-12-19/h3-12H,2,13-17,24H2,1H3,(H,25,30)/b21-20-