3-methylbutyl 2-[1-[(4-fluorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[1-[(4-fluorophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[1-[(4-fluorobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-fluorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[1-[(4-fluorobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-fluorobenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isoamyl ester Formula: C19H24FN3O4S MolecularWeight: 409.474963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C19H24FN3O4S/c1-12(2)7-10-27-16(24)11-15-18(26)21-8-9-23(15)19(28)22-17(25)13-3-5-14(20)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,21,26)(H,22,25,28)