3-chloranyl-7-nitro-N-(4-pyrrolidin-1-ylphenyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-(4-pyrrolidin-1-ylphenyl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-(4-pyrrolidin-1-ylphenyl)benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-(1-pyrrolidinyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-(4-pyrrolidin-1-ylphenyl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(4-pyrrolidinophenyl)benzothiophene-2-carboxamide Formula: C19H16ClN3O3S MolecularWeight: 401.86664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H16ClN3O3S/c20-16-14-4-3-5-15(23(25)26)17(14)27-18(16)19(24)21-12-6-8-13(9-7-12)22-10-1-2-11-22/h3-9H,1-2,10-11H2,(H,21,24)