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

Systemtic Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)azepan-2-one Openeye Name: 3-(isothiochroman-4-ylamino)azepan-2-one CAS Name: 3-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-2-azepanone IUPAC Name: 3-(3,4-dihydro-1H-isothiochromen-4-ylamino)azepan-2-one Traditional Name: 3-(isothiochroman-4-ylamino)azepan-2-one Formula: C15H20N2OS MolecularWeight: 276.3971

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC2CSCC3=CC=CC=C23

Isomeric SMILES

C1CCNC(=O)C(C1)NC2CSCC3=CC=CC=C23

InChI

InChI=1S/C15H20N2OS/c18-15-13(7-3-4-8-16-15)17-14-10-19-9-11-5-1-2-6-12(11)14/h1-2,5-6,13-14,17H,3-4,7-10H2,(H,16,18)