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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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