N-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamothioyl)benzamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamothioyl)benzamide Openeye Name: N-(isochroman-1-ylmethylcarbamothioyl)benzamide CAS Name: N-[(3,4-dihydro-1H-2-benzopyran-1-ylmethylamino)-sulfanylidenemethyl]benzamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethylcarbamothioyl)benzamide Traditional Name: N-(isochroman-1-ylmethylthiocarbamoyl)benzamide Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)CNC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1COC(C2=CC=CC=C21)CNC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O2S/c21-17(14-7-2-1-3-8-14)20-18(23)19-12-16-15-9-5-4-6-13(15)10-11-22-16/h1-9,16H,10-12H2,(H2,19,20,21,23)