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

Systemtic Name: methyl N-[(3-bromanyl-4-hexoxy-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-bromo-4-hexoxy-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-bromo-4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-bromo-4-hexoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-bromo-4-hexoxy-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C16H22BrN3O4S MolecularWeight: 432.33258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)OC)Br

InChI

InChI=1S/C16H22BrN3O4S/c1-3-4-5-6-9-24-13-8-7-11(10-12(13)17)14(21)18-15(25)19-20-16(22)23-2/h7-8,10H,3-6,9H2,1-2H3,(H,20,22)(H2,18,19,21,25)