3-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

Isomeric SMILES

COCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)OCCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O4S/c1-34-16-7-15-29-26(33)21-10-5-6-11-23(21)30-27(36)31-25(32)20-12-13-24(22(28)18-20)35-17-14-19-8-3-2-4-9-19/h2-6,8-13,18H,7,14-17H2,1H3,(H,29,33)(H2,30,31,32,36)