N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenecarbothioamide

Systemtic Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenecarbothioamide Openeye Name: N-(isochroman-1-ylmethyl)benzenecarbothioamide CAS Name: N-(3,4-dihydro-1H-2-benzopyran-1-ylmethyl)benzenecarbothioamide IUPAC Name: N-(3,4-dihydro-1H-isochromen-1-ylmethyl)benzenecarbothioamide Traditional Name: N-(isochroman-1-ylmethyl)thiobenzamide Formula: C17H17NOS MolecularWeight: 283.38798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NOS/c20-17(14-7-2-1-3-8-14)18-12-16-15-9-5-4-6-13(15)10-11-19-16/h1-9,16H,10-12H2,(H,18,20)