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

Systemtic Name: 3-bromanyl-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(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=C(C=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

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

InChI

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