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

Systemtic Name: 3-bromanyl-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[(4-isopentyloxyphenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[(4-isoamoxyphenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H29BrN2O3S/c1-19(2)14-16-32-23-11-9-22(10-12-23)29-27(34)30-26(31)21-8-13-25(24(28)18-21)33-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H2,29,30,31,34)