methyl N-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[(3-iodanyl-4-methyl-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-iodo-4-methyl-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-iodo-4-methylbenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-iodo-4-methyl-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C11H12IN3O3S MolecularWeight: 393.20075

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)I

InChI

InChI=1S/C11H12IN3O3S/c1-6-3-4-7(5-8(6)12)9(16)13-10(19)14-15-11(17)18-2/h3-5H,1-2H3,(H,15,17)(H2,13,14,16,19)