propan-2-yl 2-[1-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[1-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[1-[(4-isobutoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[1-[[4-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(4-isobutoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C

InChI

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