2-(3,4-dihydro-1H-isothiochromen-4-ylamino)propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC1CSCC2=CC=CC=C12

Isomeric SMILES

CC(C(=O)N)NC1CSCC2=CC=CC=C12

InChI

InChI=1S/C12H16N2OS/c1-8(12(13)15)14-11-7-16-6-9-4-2-3-5-10(9)11/h2-5,8,11,14H,6-7H2,1H3,(H2,13,15)