1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethanone

Systemtic Name: 1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethanone Openeye Name: 1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]ethanone CAS Name: 1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethanone IUPAC Name: 1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethanone Traditional Name: 1-(3,4-dihydro-2H-pyrido[2,3-b][1,4]thiazepin-1-yl)-2-[homoveratryl(methyl)amino]ethanone Formula: C21H27N3O3S MolecularWeight: 401.52238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCCSC3=C2C=CC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)CC(=O)N2CCCSC3=C2C=CC=N3

InChI

InChI=1S/C21H27N3O3S/c1-23(12-9-16-7-8-18(26-2)19(14-16)27-3)15-20(25)24-11-5-13-28-21-17(24)6-4-10-22-21/h4,6-8,10,14H,5,9,11-13,15H2,1-3H3