N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(p-tolylmethyl)benzothiophene-2-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-methylbenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c1-11-2-4-12(5-3-11)10-18-17(20)16-9-13-8-14(19(21)22)6-7-15(13)23-16/h2-9H,10H2,1H3,(H,18,20)