8-methoxy-4-(4-methoxyphenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 8-methoxy-4-(4-methoxyphenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 8-methoxy-4-(4-methoxyphenyl)sulfanyl-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methoxy-4-[(4-methoxyphenyl)thio]-6-phenylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 8-methoxy-4-(4-methoxyphenyl)sulfanyl-6-phenylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 8-methoxy-4-[(4-methoxyphenyl)thio]-6-phenyl-pyrimido[4,5-b][1,4]benzothiazepine Formula: C25H19N3O2S2 MolecularWeight: 457.56726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)OC)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2S2/c1-29-17-8-11-19(12-9-17)31-24-23-25(27-15-26-24)32-21-13-10-18(30-2)14-20(21)22(28-23)16-6-4-3-5-7-16/h3-15H,1-2H3