3-methylbutyl 2-[3-oxidanylidene-1-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[[2-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[[2-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C27H33N3O6S MolecularWeight: 527.63242

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CC=C2OCCOC3=CC=CC=C3

InChI

InChI=1S/C27H33N3O6S/c1-19(2)12-15-36-24(31)18-22-26(33)28-13-14-30(22)27(37)29-25(32)21-10-6-7-11-23(21)35-17-16-34-20-8-4-3-5-9-20/h3-11,19,22H,12-18H2,1-2H3,(H,28,33)(H,29,32,37)