2-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]-1,3-benzothiazole

Systemtic Name: 2-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(2-thienyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl(thiophen-2-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(2-thienyl)methyl]-1,3-benzothiazole Formula: C17H19N3S2 MolecularWeight: 329.48286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC=CS2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H19N3S2/c1-2-6-14-13(5-1)19-17(22-14)16(15-7-3-12-21-15)20-10-4-8-18-9-11-20/h1-3,5-7,12,16,18H,4,8-11H2