3-bromanyl-N-(furan-2-ylmethylcarbamothioyl)-4-(3-methylbutoxy)benzamide

Systemtic Name: 3-bromanyl-N-(furan-2-ylmethylcarbamothioyl)-4-(3-methylbutoxy)benzamide Openeye Name: 3-bromo-N-(2-furylmethylcarbamothioyl)-4-isopentyloxy-benzamide CAS Name: 3-bromo-N-[(2-furanylmethylamino)-sulfanylidenemethyl]-4-(3-methylbutoxy)benzamide IUPAC Name: 3-bromo-N-(furan-2-ylmethylcarbamothioyl)-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-N-(2-furfurylthiocarbamoyl)-4-isoamoxy-benzamide Formula: C18H21BrN2O3S MolecularWeight: 425.33994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)C(=O)NC(=S)NCC2=CC=CO2)Br

InChI

InChI=1S/C18H21BrN2O3S/c1-12(2)7-9-24-16-6-5-13(10-15(16)19)17(22)21-18(25)20-11-14-4-3-8-23-14/h3-6,8,10,12H,7,9,11H2,1-2H3,(H2,20,21,22,25)