3-phenylpropyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H23N3O5S/c25-18(29-13-4-8-15-6-2-1-3-7-15)14-16-19(26)22-10-11-24(16)21(30)23-20(27)17-9-5-12-28-17/h1-3,5-7,9,12,16H,4,8,10-11,13-14H2,(H,22,26)(H,23,27,30)