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

Systemtic Name: 2-methylpropyl 2-[3-oxidanylidene-1-[(3-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: isobutyl 2-[1-[(3-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[3-oxo-1-[(3-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isopropoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isobutyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O5S/c1-13(2)12-28-18(25)11-17-20(27)22-8-9-24(17)21(30)23-19(26)15-6-5-7-16(10-15)29-14(3)4/h5-7,10,13-14,17H,8-9,11-12H2,1-4H3,(H,22,27)(H,23,26,30)