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

Systemtic Name: 5-bromanyl-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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