1-(3,4-dihydro-2H-thiochromen-4-yl)-1,4-diazepane; propanamide

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-1,4-diazepane; propanamide Openeye Name: propanamide; 1-thiochroman-4-yl-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-1,4-diazepane; propanamide IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-1,4-diazepane; propanamide Traditional Name: propionamide; 1-thiochroman-4-yl-1,4-diazepane Formula: C17H27N3OS MolecularWeight: 321.48078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N.C1CNCCN(C1)C2CCSC3=CC=CC=C23

Isomeric SMILES

CCC(=O)N.C1CNCCN(C1)C2CCSC3=CC=CC=C23

InChI

InChI=1S/C14H20N2S.C3H7NO/c1-2-5-14-12(4-1)13(6-11-17-14)16-9-3-7-15-8-10-16;1-2-3(4)5/h1-2,4-5,13,15H,3,6-11H2;2H2,1H3,(H2,4,5)