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

Systemtic Name: 3-bromanyl-N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[cyclopropylmethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[cyclopropylmethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[cyclopropylmethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[cyclopropylmethyl(tetrahydrofurfuryl)thiocarbamoyl]-4-methyl-benzamide Formula: C18H23BrN2O2S MolecularWeight: 411.35642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3CCCO3)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N(CC2CC2)CC3CCCO3)Br

InChI

InChI=1S/C18H23BrN2O2S/c1-12-4-7-14(9-16(12)19)17(22)20-18(24)21(10-13-5-6-13)11-15-3-2-8-23-15/h4,7,9,13,15H,2-3,5-6,8,10-11H2,1H3,(H,20,22,24)