3-bromanyl-N-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-bromanyl-N-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[cyclobutylmethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[cyclobutylmethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[cyclobutylmethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[cyclobutylmethyl(tetrahydrofurfuryl)thiocarbamoyl]-4-methyl-benzamide Formula: C19H25BrN2O2S MolecularWeight: 425.383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3CCCO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CCC2)CC3CCCO3)Br

InChI

InChI=1S/C19H25BrN2O2S/c1-13-7-8-15(10-17(13)20)18(23)21-19(25)22(11-14-4-2-5-14)12-16-6-3-9-24-16/h7-8,10,14,16H,2-6,9,11-12H2,1H3,(H,21,23,25)