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

Systemtic Name: propan-2-yl 2-[(2S)-1-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[(3-iodo-4-methoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(3-iodo-4-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-[(3-iodo-4-methoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid isopropyl ester Formula: C18H22IN3O5S MolecularWeight: 519.35385

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C18H22IN3O5S/c1-10(2)27-15(23)9-13-17(25)20-6-7-22(13)18(28)21-16(24)11-4-5-14(26-3)12(19)8-11/h4-5,8,10,13H,6-7,9H2,1-3H3,(H,20,25)(H,21,24,28)/t13-/m0/s1