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

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-3-bromo-4-isopentyloxy-benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-[(4-phenylmethoxyphenyl)carbamothioyl]benzamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-3-bromo-4-isoamoxy-benzamide Formula: C26H27BrN2O3S MolecularWeight: 527.47318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C26H27BrN2O3S/c1-18(2)14-15-31-24-13-8-20(16-23(24)27)25(30)29-26(33)28-21-9-11-22(12-10-21)32-17-19-6-4-3-5-7-19/h3-13,16,18H,14-15,17H2,1-2H3,(H2,28,29,30,33)