N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methoxy-benzamide

Systemtic Name: N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[2-cyanoethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[2-cyanoethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]-4-methoxybenzamide Traditional Name: N-[2-cyanoethyl(tetrahydrofurfuryl)thiocarbamoyl]-4-methoxy-benzamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2CCCO2

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)N(CCC#N)CC2CCCO2

InChI

InChI=1S/C17H21N3O3S/c1-22-14-7-5-13(6-8-14)16(21)19-17(24)20(10-3-9-18)12-15-4-2-11-23-15/h5-8,15H,2-4,10-12H2,1H3,(H,19,21,24)