methyl 5-[[(3-bromophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate

Systemtic Name: methyl 5-[[(3-bromophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate Openeye Name: methyl 5-[[(3-bromophenyl)carbamothioylamino]methyl]-2-methoxy-benzoate CAS Name: 5-[[[(3-bromoanilino)-sulfanylidenemethyl]amino]methyl]-2-methoxybenzoic acid methyl ester IUPAC Name: methyl 5-[[(3-bromophenyl)carbamothioylamino]methyl]-2-methoxybenzoate Traditional Name: 5-[[(3-bromophenyl)thiocarbamoylamino]methyl]-2-methoxy-benzoic acid methyl ester Formula: C17H17BrN2O3S MolecularWeight: 409.29748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Br)C(=O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=S)NC2=CC(=CC=C2)Br)C(=O)OC

InChI

InChI=1S/C17H17BrN2O3S/c1-22-15-7-6-11(8-14(15)16(21)23-2)10-19-17(24)20-13-5-3-4-12(18)9-13/h3-9H,10H2,1-2H3,(H2,19,20,24)