ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-benzamido-3-[4-(methylthio)phenyl]-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-benzamido-3-(4-methylsulfanylphenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-benzamido-3-[4-(methylthio)phenyl]acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C(=CC2=CC=C(C=C2)SC)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)/C(=C\C2=CC=C(C=C2)SC)/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c1-3-31-24(30)27-15-13-26(14-16-27)23(29)21(17-18-9-11-20(32-2)12-10-18)25-22(28)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,25,28)/b21-17+