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

Systemtic Name: 3-bromanyl-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrN2O3S/c1-2-15-32-24-14-13-20(17-23(24)27)25(30)29-26(33)28-21-11-6-12-22(18-21)31-16-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-14,17-18H,2,7,10,15-16H2,1H3,(H2,28,29,30,33)