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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C28H31BrN2O3S MolecularWeight: 555.52634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H31BrN2O3S/c1-20(2)16-18-34-26-15-10-22(19-25(26)29)27(32)31-28(35)30-23-11-13-24(14-12-23)33-17-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-15,19-20H,6,9,16-18H2,1-2H3,(H2,30,31,32,35)