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

Systemtic Name: 5-bromanyl-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[(3-isopentyloxyphenyl)carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-isoamoxyphenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H29BrN2O3S MolecularWeight: 541.49976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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