4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Openeye Name: 4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-1-butanone IUPAC Name: 4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Traditional Name: 4-(1H-indol-3-yl)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)butan-1-one Formula: C22H24N2OS MolecularWeight: 364.50376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C22H24N2OS/c1-16-13-14-24(20-10-4-5-11-21(20)26-16)22(25)12-6-7-17-15-23-19-9-3-2-8-18(17)19/h2-5,8-11,15-16,23H,6-7,12-14H2,1H3