3-bromanyl-4-butoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-allyloxyphenyl)carbamothioyl]-3-bromo-4-butoxy-benzamide CAS Name: 3-bromo-4-butoxy-N-[(4-prop-2-enoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(4-prop-2-enoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-allyloxyphenyl)thiocarbamoyl]-3-bromo-4-butoxy-benzamide Formula: C21H23BrN2O3S MolecularWeight: 463.38792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC=C)Br

InChI

InChI=1S/C21H23BrN2O3S/c1-3-5-13-27-19-11-6-15(14-18(19)22)20(25)24-21(28)23-16-7-9-17(10-8-16)26-12-4-2/h4,6-11,14H,2-3,5,12-13H2,1H3,(H2,23,24,25,28)