propan-2-yl 2-[(2S)-1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-1-[(3-ethoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(3-ethoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(3-ethoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OC(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OC(C)C

InChI

InChI=1S/C19H25N3O5S/c1-4-26-14-7-5-6-13(10-14)17(24)21-19(28)22-9-8-20-18(25)15(22)11-16(23)27-12(2)3/h5-7,10,12,15H,4,8-9,11H2,1-3H3,(H,20,25)(H,21,24,28)/t15-/m0/s1