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

Systemtic Name: ethyl 2-[(2S)-1-[[4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: ethyl 2-[(2S)-1-[(4-isobutoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[[4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S)-1-[[4-(2-methylpropoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(4-isobutoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid ethyl ester Formula: C20H27N3O5S MolecularWeight: 421.51048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C20H27N3O5S/c1-4-27-17(24)11-16-19(26)21-9-10-23(16)20(29)22-18(25)14-5-7-15(8-6-14)28-12-13(2)3/h5-8,13,16H,4,9-12H2,1-3H3,(H,21,26)(H,22,25,29)/t16-/m0/s1