N-butyl-5-nitro-N-phenyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-butyl-5-nitro-N-phenyl-1-benzothiophene-2-carboxamide Openeye Name: N-butyl-5-nitro-N-phenyl-benzothiophene-2-carboxamide CAS Name: N-butyl-5-nitro-N-phenyl-1-benzothiophene-2-carboxamide IUPAC Name: N-butyl-5-nitro-N-phenyl-1-benzothiophene-2-carboxamide Traditional Name: N-butyl-5-nitro-N-phenyl-benzothiophene-2-carboxamide Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=CC=C1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O3S/c1-2-3-11-20(15-7-5-4-6-8-15)19(22)18-13-14-12-16(21(23)24)9-10-17(14)25-18/h4-10,12-13H,2-3,11H2,1H3