3-bromanyl-4-(3-methylbutoxy)-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-benzyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-benzoxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C27H28BrN3O4S MolecularWeight: 570.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)Br

InChI

InChI=1S/C27H28BrN3O4S/c1-18(2)14-15-34-24-13-12-20(16-22(24)28)25(32)29-27(36)31-30-26(33)21-10-6-7-11-23(21)35-17-19-8-4-3-5-9-19/h3-13,16,18H,14-15,17H2,1-2H3,(H,30,33)(H2,29,31,32,36)