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

Systemtic Name: 5-[3-(dimethylamino)prop-1-ynyl]benzo[b][1]benzothiepin-3-amine Openeye Name: 5-[3-(dimethylamino)prop-1-ynyl]benzo[b][1]benzothiepin-3-amine CAS Name: 5-[3-(dimethylamino)prop-1-ynyl]-3-benzo[b][1]benzothiepinamine IUPAC Name: 5-[3-(dimethylamino)prop-1-ynyl]benzo[b][1]benzothiepin-3-amine Traditional Name: 3-(3-aminobenzo[b][1]benzothiepin-5-yl)prop-2-ynyl-dimethyl-amine Formula: C19H18N2S MolecularWeight: 306.42462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2S/c1-21(2)11-5-7-14-12-15-6-3-4-8-18(15)22-19-10-9-16(20)13-17(14)19/h3-4,6,8-10,12-13H,11,20H2,1-2H3