3-chloranyl-7-nitro-N-[3-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-[3-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[3-(pentanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[3-(1-oxopentylamino)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[3-(pentanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[3-(valerylamino)phenyl]benzothiophene-2-carboxamide Formula: C20H18ClN3O4S MolecularWeight: 431.89262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCC(=O)NC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-2-3-10-16(25)22-12-6-4-7-13(11-12)23-20(26)19-17(21)14-8-5-9-15(24(27)28)18(14)29-19/h4-9,11H,2-3,10H2,1H3,(H,22,25)(H,23,26)