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

Systemtic Name: butan-2-yl 2-[1-[(3-iodanyl-4-methoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 2-[1-[(3-iodo-4-methoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(3-iodo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid butan-2-yl ester IUPAC Name: butan-2-yl 2-[1-[(3-iodo-4-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(3-iodo-4-methoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid sec-butyl ester Formula: C19H24IN3O5S MolecularWeight: 533.38043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24IN3O5S/c1-4-11(2)28-16(24)10-14-18(26)21-7-8-23(14)19(29)22-17(25)12-5-6-15(27-3)13(20)9-12/h5-6,9,11,14H,4,7-8,10H2,1-3H3,(H,21,26)(H,22,25,29)