6-tert-butyl-3-propylsulfanyl-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-amine

Systemtic Name: 6-tert-butyl-3-propylsulfanyl-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-amine Openeye Name: 6-tert-butyl-3-propylsulfanyl-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-amine CAS Name: 6-tert-butyl-3-(propylthio)-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-amine IUPAC Name: 6-tert-butyl-3-propylsulfanyl-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-amine Traditional Name: [6-tert-butyl-3-(propylthio)-5,6,7,8-tetrahydropyrrolo[3,4-b][1,4]benzothiazin-1-yl]amine Formula: C17H25N3S2 MolecularWeight: 335.5305

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C2C(=NC3=C(S2)CC(CC3)C(C)(C)C)C(=N1)N

Isomeric SMILES

CCCSC1=C2C(=NC3=C(S2)CC(CC3)C(C)(C)C)C(=N1)N

InChI

InChI=1S/C17H25N3S2/c1-5-8-21-16-14-13(15(18)20-16)19-11-7-6-10(17(2,3)4)9-12(11)22-14/h10H,5-9H2,1-4H3,(H2,18,20)