N-[2-methyl-5-(propanoylamino)phenyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-methyl-5-(propanoylamino)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-methyl-5-(propanoylamino)phenyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[2-methyl-5-(1-oxopropylamino)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-methyl-5-(propanoylamino)phenyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2-methyl-5-propionamido-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)C)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c1-3-18(23)20-13-5-4-11(2)15(10-13)21-19(24)17-9-12-8-14(22(25)26)6-7-16(12)27-17/h4-10H,3H2,1-2H3,(H,20,23)(H,21,24)