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

Systemtic Name: 3-phenylpropyl 2-[1-(cyclopropylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[cyclopropyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[1-(cyclopropanecarbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(cyclopropanecarbonylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C1CC1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O4S/c24-17(27-12-4-7-14-5-2-1-3-6-14)13-16-19(26)21-10-11-23(16)20(28)22-18(25)15-8-9-15/h1-3,5-6,15-16H,4,7-13H2,(H,21,26)(H,22,25,28)