3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide

Systemtic Name: 3-bromanyl-N-[(3-butoxyphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[(3-butoxyanilino)-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[(3-butoxyphenyl)carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[(3-butoxyphenyl)thiocarbamoyl]-4-(2-methoxyethoxy)benzamide Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

InChI=1S/C21H25BrN2O4S/c1-3-4-10-27-17-7-5-6-16(14-17)23-21(29)24-20(25)15-8-9-19(18(22)13-15)28-12-11-26-2/h5-9,13-14H,3-4,10-12H2,1-2H3,(H2,23,24,25,29)