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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

CCC(C)OC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCOC)Br

InChI

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