ethyl 3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbothioylamino]benzoate

Systemtic Name: ethyl 3-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]carbothioylamino]benzoate Openeye Name: ethyl 3-[(4-cinnamylpiperazine-1-carbothioyl)amino]benzoate CAS Name: 3-[[[4-(3-phenylprop-2-enyl)-1-piperazinyl]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(3-phenylprop-2-enyl)piperazine-1-carbothioyl]amino]benzoate Traditional Name: 3-[(4-cinnamylpiperazine-1-carbothioyl)amino]benzoic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC=CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-2-28-22(27)20-11-6-12-21(18-20)24-23(29)26-16-14-25(15-17-26)13-7-10-19-8-4-3-5-9-19/h3-12,18H,2,13-17H2,1H3,(H,24,29)