5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine

Systemtic Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine Openeye Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-benzo[b][1]benzothiepin-3-amine CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethyl-3-benzo[b][1]benzothiepinamine IUPAC Name: 5-[3-(dimethylamino)prop-1-ynyl]-N,N-dimethylbenzo[b][1]benzothiepin-3-amine Traditional Name: 3-[3-(dimethylamino)benzo[b][1]benzothiepin-5-yl]prop-2-ynyl-dimethyl-amine Formula: C21H22N2S MolecularWeight: 334.47778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)N(C)C

Isomeric SMILES

CN(C)CC#CC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)N(C)C

InChI

InChI=1S/C21H22N2S/c1-22(2)13-7-9-16-14-17-8-5-6-10-20(17)24-21-12-11-18(23(3)4)15-19(16)21/h5-6,8,10-12,14-15H,13H2,1-4H3