3-chloranyl-N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]benzamide Openeye Name: 3-chloro-N-[2-cyanoethyl(tetrahydrofuran-2-ylmethyl)carbamothioyl]benzamide CAS Name: 3-chloro-N-[[2-cyanoethyl(2-oxolanylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[2-cyanoethyl(oxolan-2-ylmethyl)carbamothioyl]benzamide Traditional Name: 3-chloro-N-[2-cyanoethyl(tetrahydrofurfuryl)thiocarbamoyl]benzamide Formula: C16H18ClN3O2S MolecularWeight: 351.85102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC=C2)Cl

Isomeric SMILES

C1CC(OC1)CN(CCC#N)C(=S)NC(=O)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H18ClN3O2S/c17-13-5-1-4-12(10-13)15(21)19-16(23)20(8-3-7-18)11-14-6-2-9-22-14/h1,4-5,10,14H,2-3,6,8-9,11H2,(H,19,21,23)