3-bromanyl-4-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-(3-pyridylmethylcarbamothioyl)benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[(3-pyridinylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-(pyridin-3-ylmethylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(3-pyridylmethylthiocarbamoyl)benzamide Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CN=CC=C2)Br

InChI

InChI=1S/C19H22BrN3O2S/c1-13(2)7-9-25-17-6-5-15(10-16(17)20)18(24)23-19(26)22-12-14-4-3-8-21-11-14/h3-6,8,10-11,13H,7,9,12H2,1-2H3,(H2,22,23,24,26)