3-bromanyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[(4-isobutoxyphenyl)carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(2-methylpropoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2-methylpropoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[(4-isobutoxyphenyl)thiocarbamoyl]-4-propoxy-benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC(C)C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC(C)C)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-4-11-26-19-10-5-15(12-18(19)22)20(25)24-21(28)23-16-6-8-17(9-7-16)27-13-14(2)3/h5-10,12,14H,4,11,13H2,1-3H3,(H2,23,24,25,28)