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

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(3-methylbutyl)-1,4-diazepane Openeye Name: 1-isopentyl-4-thiochroman-4-yl-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(3-methylbutyl)-1,4-diazepane IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(3-methylbutyl)-1,4-diazepane Traditional Name: 1-isoamyl-4-thiochroman-4-yl-1,4-diazepane Formula: C19H30N2S MolecularWeight: 318.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCCN(CC1)C2CCSC3=CC=CC=C23

Isomeric SMILES

CC(C)CCN1CCCN(CC1)C2CCSC3=CC=CC=C23

InChI

InChI=1S/C19H30N2S/c1-16(2)8-12-20-10-5-11-21(14-13-20)18-9-15-22-19-7-4-3-6-17(18)19/h3-4,6-7,16,18H,5,8-15H2,1-2H3