methyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(5-bromo-2-methoxy-3-methyl-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)OC

InChI

InChI=1S/C18H17BrN2O4S/c1-10-8-12(19)9-14(15(10)24-2)16(22)21-18(26)20-13-6-4-11(5-7-13)17(23)25-3/h4-9H,1-3H3,(H2,20,21,22,26)