N-[(3-chlorophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-chlorophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-chlorophenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-chlorophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-chlorophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(3-chlorobenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C16H11ClN2O3S MolecularWeight: 346.78814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11ClN2O3S/c17-12-3-1-2-10(6-12)9-18-16(20)15-8-11-7-13(19(21)22)4-5-14(11)23-15/h1-8H,9H2,(H,18,20)