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

Systemtic Name: 8-methyl-4-(4-methylphenyl)sulfanyl-6-(phenylmethyl)pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-benzyl-8-methyl-4-(p-tolylsulfanyl)pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 8-methyl-4-[(4-methylphenyl)thio]-6-(phenylmethyl)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-benzyl-8-methyl-4-(4-methylphenyl)sulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-benzyl-8-methyl-4-(p-tolylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C26H21N3S2 MolecularWeight: 439.59504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC=NC3=C2N=C(C4=C(S3)C=CC(=C4)C)CC5=CC=CC=C5

InChI

InChI=1S/C26H21N3S2/c1-17-8-11-20(12-9-17)30-25-24-26(28-16-27-25)31-23-13-10-18(2)14-21(23)22(29-24)15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3