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

Systemtic Name: 8-methoxy-4-(4-methoxyphenyl)sulfanyl-6-(phenylmethyl)pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-benzyl-8-methoxy-4-(4-methoxyphenyl)sulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methoxy-4-[(4-methoxyphenyl)thio]-6-(phenylmethyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-benzyl-8-methoxy-4-(4-methoxyphenyl)sulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-benzyl-8-methoxy-4-[(4-methoxyphenyl)thio]pyrimido[4,5-b][1,4]benzothiazepine Formula: C26H21N3O2S2 MolecularWeight: 471.59384

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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)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)OC)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3O2S2/c1-30-18-8-11-20(12-9-18)32-25-24-26(28-16-27-25)33-23-13-10-19(31-2)15-21(23)22(29-24)14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3