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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-(6-nitro-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C20H15ClN4O3S2 MolecularWeight: 458.9411

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C20H15ClN4O3S2/c21-17-13-3-1-2-4-15(13)29-18(17)19(26)23-7-9-24(10-8-23)20-22-14-6-5-12(25(27)28)11-16(14)30-20/h1-6,11H,7-10H2