3-chloranyl-N-[2-chloranyl-5-(propanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-chloranyl-5-(propanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-chloro-5-(propanoylamino)phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-chloro-5-(1-oxopropylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-chloro-5-(propanoylamino)phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-chloro-5-propionamido-phenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C18H13Cl2N3O4S MolecularWeight: 438.28452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13Cl2N3O4S/c1-2-14(24)21-9-6-7-11(19)12(8-9)22-18(25)17-15(20)10-4-3-5-13(23(26)27)16(10)28-17/h3-8H,2H2,1H3,(H,21,24)(H,22,25)