2-methoxyethyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: 2-methoxyethyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: 2-methoxyethyl 2-[1-[(4-isopropylbenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(4-propan-2-ylphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[3-oxo-1-[(4-propan-2-ylbenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-(cumoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 2-methoxyethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCCOC

InChI

InChI=1S/C20H27N3O5S/c1-13(2)14-4-6-15(7-5-14)18(25)22-20(29)23-9-8-21-19(26)16(23)12-17(24)28-11-10-27-3/h4-7,13,16H,8-12H2,1-3H3,(H,21,26)(H,22,25,29)