4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-[(3-bromophenyl)thio]-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-(3-bromophenyl)sulfanyl-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-[(3-bromophenyl)thio]-8,9-dimethoxy-5,6-dihydropyrimido[4,5-b][1,4]benzothiazepine Formula: C19H16BrN3O2S2 MolecularWeight: 462.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CNC3=C(S2)N=CN=C3SC4=CC(=CC=C4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CNC3=C(S2)N=CN=C3SC4=CC(=CC=C4)Br)OC

InChI

InChI=1S/C19H16BrN3O2S2/c1-24-14-6-11-9-21-17-18(26-13-5-3-4-12(20)7-13)22-10-23-19(17)27-16(11)8-15(14)25-2/h3-8,10,21H,9H2,1-2H3