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

Systemtic Name: 2-[1,4-diazepan-1-yl(thiophen-3-yl)methyl]-1,3-benzothiazole Openeye Name: 2-[1,4-diazepan-1-yl(3-thienyl)methyl]-1,3-benzothiazole CAS Name: 2-[1,4-diazepan-1-yl(3-thiophenyl)methyl]-1,3-benzothiazole IUPAC Name: 2-[1,4-diazepan-1-yl(thiophen-3-yl)methyl]-1,3-benzothiazole Traditional Name: 2-[1,4-diazepan-1-yl(3-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=CSC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

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

InChI

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