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

Systemtic Name: butan-2-yl 2-[3-oxidanylidene-1-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[3-oxo-1-[[3-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[3-oxo-1-[[3-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid sec-butyl ester Formula: C26H31N3O6S MolecularWeight: 513.60584

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CCC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C26H31N3O6S/c1-3-18(2)35-23(30)17-22-25(32)27-12-13-29(22)26(36)28-24(31)19-8-7-11-21(16-19)34-15-14-33-20-9-5-4-6-10-20/h4-11,16,18,22H,3,12-15,17H2,1-2H3,(H,27,32)(H,28,31,36)