4-phenylsulfanyl-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine

Systemtic Name: 4-phenylsulfanyl-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine Openeye Name: 4-phenylsulfanyl-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine CAS Name: 4-(phenylthio)-6-propylpyrimido[4,5-b][1,4]benzothiazepine IUPAC Name: 4-phenylsulfanyl-6-propylpyrimido[4,5-b][1,4]benzothiazepine Traditional Name: 4-(phenylthio)-6-propyl-pyrimido[4,5-b][1,4]benzothiazepine Formula: C20H17N3S2 MolecularWeight: 363.49908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N=CN=C2SC3=CC=CC=C3)SC4=CC=CC=C41

Isomeric SMILES

CCCC1=NC2=C(N=CN=C2SC3=CC=CC=C3)SC4=CC=CC=C41

InChI

InChI=1S/C20H17N3S2/c1-2-8-16-15-11-6-7-12-17(15)25-20-18(23-16)19(21-13-22-20)24-14-9-4-3-5-10-14/h3-7,9-13H,2,8H2,1H3