3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide Openeye Name: 3-(isothiochroman-4-ylamino)propanamide CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)propanamide IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide Traditional Name: 3-(isothiochroman-4-ylamino)propionamide Formula: C12H16N2OS MolecularWeight: 236.33324

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NCCC(=O)N

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NCCC(=O)N

InChI

InChI=1S/C12H16N2OS/c13-12(15)5-6-14-11-8-16-7-9-3-1-2-4-10(9)11/h1-4,11,14H,5-8H2,(H2,13,15)