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

Systemtic Name: 3-chloranyl-7-nitro-N-[4-(propanoylamino)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[4-(propanoylamino)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-(1-oxopropylamino)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[4-(propanoylamino)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(4-propionamidophenyl)benzothiophene-2-carboxamide Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN3O4S/c1-2-14(23)20-10-6-8-11(9-7-10)21-18(24)17-15(19)12-4-3-5-13(22(25)26)16(12)27-17/h3-9H,2H2,1H3,(H,20,23)(H,21,24)