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

Systemtic Name: methyl 2-[1-[[2-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[(2-isobutoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[[2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[[2-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2-isobutoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC

Isomeric SMILES

CC(C)COC1=CC=CC=C1C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC

InChI

InChI=1S/C19H25N3O5S/c1-12(2)11-27-15-7-5-4-6-13(15)17(24)21-19(28)22-9-8-20-18(25)14(22)10-16(23)26-3/h4-7,12,14H,8-11H2,1-3H3,(H,20,25)(H,21,24,28)