3-methylbutyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isopentyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isoamyl ester Formula: C22H31N3O7S MolecularWeight: 481.56244

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O7S/c1-13(2)6-9-32-18(26)12-15-21(28)23-7-8-25(15)22(33)24-20(27)14-10-16(29-3)19(31-5)17(11-14)30-4/h10-11,13,15H,6-9,12H2,1-5H3,(H,23,28)(H,24,27,33)