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

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-propyl-1,4-diazepane Openeye Name: 1-propyl-4-thiochroman-4-yl-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-propyl-1,4-diazepane IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-propyl-1,4-diazepane Traditional Name: 1-propyl-4-thiochroman-4-yl-1,4-diazepane Formula: C17H26N2S MolecularWeight: 290.46674

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCCN(CC1)C2CCSC3=CC=CC=C23

Isomeric SMILES

CCCN1CCCN(CC1)C2CCSC3=CC=CC=C23

InChI

InChI=1S/C17H26N2S/c1-2-9-18-10-5-11-19(13-12-18)16-8-14-20-17-7-4-3-6-15(16)17/h3-4,6-7,16H,2,5,8-14H2,1H3