6-(phenylmethyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 6-(phenylmethyl)-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 6-benzyl-4-phenylsulfanyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 6-(phenylmethyl)-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 6-benzyl-4-phenylsulfanylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 6-benzyl-4-(phenylthio)pyrimido[4,5-b][1,4]benzothiazepine Formula: C24H17N3S2 MolecularWeight: 411.54188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(N=CN=C3SC4=CC=CC=C4)SC5=CC=CC=C52

InChI

InChI=1S/C24H17N3S2/c1-3-9-17(10-4-1)15-20-19-13-7-8-14-21(19)29-24-22(27-20)23(25-16-26-24)28-18-11-5-2-6-12-18/h1-14,16H,15H2