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

Systemtic Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(2-methylpropyl)-1,4-diazepane Openeye Name: 1-isobutyl-4-thiochroman-4-yl-1,4-diazepane CAS Name: 1-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(2-methylpropyl)-1,4-diazepane IUPAC Name: 1-(3,4-dihydro-2H-thiochromen-4-yl)-4-(2-methylpropyl)-1,4-diazepane Traditional Name: 1-isobutyl-4-thiochroman-4-yl-1,4-diazepane Formula: C18H28N2S MolecularWeight: 304.49332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CCCN(CC1)C2CCSC3=CC=CC=C23

Isomeric SMILES

CC(C)CN1CCCN(CC1)C2CCSC3=CC=CC=C23

InChI

InChI=1S/C18H28N2S/c1-15(2)14-19-9-5-10-20(12-11-19)17-8-13-21-18-7-4-3-6-16(17)18/h3-4,6-7,15,17H,5,8-14H2,1-2H3