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

Systemtic Name: methyl N-[(3-bromanyl-4-phenethyloxy-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(3-bromo-4-phenethyloxy-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(3-bromo-4-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(3-bromo-4-phenethyloxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(3-bromo-4-phenethyloxy-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H18BrN3O4S/c1-25-18(24)22-21-17(27)20-16(23)13-7-8-15(14(19)11-13)26-10-9-12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,22,24)(H2,20,21,23,27)