8-methyl-4-(4-methylphenyl)sulfanyl-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methyl-6-propyl-4-(p-tolylsulfanyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-4-[(4-methylphenyl)thio]-6-propylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-propylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methyl-6-propyl-4-(p-tolylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C22H21N3S2 MolecularWeight: 391.55224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=CN=C2SC3=CC=C(C=C3)C)SC4=C1C=C(C=C4)C

Isomeric SMILES

CCCC1=NC2=C(N=CN=C2SC3=CC=C(C=C3)C)SC4=C1C=C(C=C4)C

InChI

InChI=1S/C22H21N3S2/c1-4-5-18-17-12-15(3)8-11-19(17)27-22-20(25-18)21(23-13-24-22)26-16-9-6-14(2)7-10-16/h6-13H,4-5H2,1-3H3