methyl 4-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[[3-bromanyl-4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3-bromo-4-isopentyloxy-benzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[[3-bromo-4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-bromo-4-(3-methylbutoxy)benzoyl]carbamothioylamino]benzoate Traditional Name: 4-[(3-bromo-4-isoamoxy-benzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O4S/c1-13(2)10-11-28-18-9-6-15(12-17(18)22)19(25)24-21(29)23-16-7-4-14(5-8-16)20(26)27-3/h4-9,12-13H,10-11H2,1-3H3,(H2,23,24,25,29)