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

Systemtic Name: 3-bromanyl-N-[(4-butoxyphenyl)carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-butoxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[(4-butoxyanilino)-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[(4-butoxyphenyl)carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-butoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrN2O3S/c1-3-5-13-26-17-9-7-16(8-10-17)23-21(28)24-20(25)15-6-11-19(18(22)14-15)27-12-4-2/h6-11,14H,3-5,12-13H2,1-2H3,(H2,23,24,25,28)