1-[4-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-yl-pentan-1-one

Systemtic Name: 1-[4-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-yl-pentan-1-one Openeye Name: 1-[2-(5-methyl-2-thienyl)-4-(p-tolyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholino-pentan-1-one CAS Name: 1-[4-(4-methylphenyl)-2-(5-methyl-2-thiophenyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-(4-morpholinyl)-1-pentanone IUPAC Name: 1-[4-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholin-4-ylpentan-1-one Traditional Name: 1-[2-(5-methyl-2-thienyl)-4-(p-tolyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]-5-morpholino-pentan-1-one Formula: C30H36N2O2S2 MolecularWeight: 520.74904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CC(SC3=CC=CC=C3N2C(=O)CCCCN4CCOCC4)C5=CC=C(S5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2CC(SC3=CC=CC=C3N2C(=O)CCCCN4CCOCC4)C5=CC=C(S5)C

InChI

InChI=1S/C30H36N2O2S2/c1-22-10-13-24(14-11-22)26-21-29(28-15-12-23(2)35-28)36-27-8-4-3-7-25(27)32(26)30(33)9-5-6-16-31-17-19-34-20-18-31/h3-4,7-8,10-15,26,29H,5-6,9,16-21H2,1-2H3