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

Systemtic Name: 2-methylpropyl 2-[3-oxidanylidene-1-[(4-propan-2-ylphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isobutyl 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-methylpropyl ester IUPAC Name: 2-methylpropyl 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 isobutyl ester Formula: C21H29N3O4S MolecularWeight: 419.53766

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

Isomeric SMILES

CC(C)COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C21H29N3O4S/c1-13(2)12-28-18(25)11-17-20(27)22-9-10-24(17)21(29)23-19(26)16-7-5-15(6-8-16)14(3)4/h5-8,13-14,17H,9-12H2,1-4H3,(H,22,27)(H,23,26,29)