N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-yl-ethanamine

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-yl-ethanamine Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-(2-thienyl)ethanamine CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylethanamine IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-1-thiophen-2-ylethanamine Traditional Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl-[1-(2-thienyl)ethyl]amine Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

CC(C1=CC=CS1)NCC2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C16H18ClNO2S/c1-11(15-4-2-7-21-15)18-10-12-8-13(17)16-14(9-12)19-5-3-6-20-16/h2,4,7-9,11,18H,3,5-6,10H2,1H3