N-(1,3-benzothiazol-2-ylsulfanyl)azepan-1-amine

Systemtic Name: N-(1,3-benzothiazol-2-ylsulfanyl)azepan-1-amine Openeye Name: N-(1,3-benzothiazol-2-ylsulfanyl)azepan-1-amine CAS Name: N-(1-azepanyl)-1,3-benzothiazole-2-sulfenamide IUPAC Name: N-(1,3-benzothiazol-2-ylsulfanyl)azepan-1-amine Traditional Name: azepan-1-yl-(1,3-benzothiazol-2-ylthio)amine Formula: C13H17N3S2 MolecularWeight: 279.42418

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)NSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CCCN(CC1)NSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H17N3S2/c1-2-6-10-16(9-5-1)15-18-13-14-11-7-3-4-8-12(11)17-13/h3-4,7-8,15H,1-2,5-6,9-10H2