1-benzothiophen-2-yl-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone

Systemtic Name: 1-benzothiophen-2-yl-[4-(6-chloranyl-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone Openeye Name: benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone CAS Name: 1-benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone IUPAC Name: 1-benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone Traditional Name: benzothiophen-2-yl-[4-(6-chloro-1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methanone Formula: C21H18ClN3OS2 MolecularWeight: 427.97012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=CC=CC=C3S2)C4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C21H18ClN3OS2/c22-15-6-7-16-18(13-15)28-21(23-16)25-9-3-8-24(10-11-25)20(26)19-12-14-4-1-2-5-17(14)27-19/h1-2,4-7,12-13H,3,8-11H2