N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloranyl-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C22H12ClN3O3S2 MolecularWeight: 465.93198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C22H12ClN3O3S2/c23-18-14-4-3-6-16(26(28)29)19(14)31-20(18)21(27)24-13-10-8-12(9-11-13)22-25-15-5-1-2-7-17(15)30-22/h1-11H,(H,24,27)