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

Systemtic Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-cyclopropyl-5-nitro-N-(p-tolylmethyl)benzothiophene-2-carboxamide CAS Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-cyclopropyl-N-[(4-methylphenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-cyclopropyl-N-(4-methylbenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN(C2CC2)C(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N2O3S/c1-13-2-4-14(5-3-13)12-21(16-6-7-16)20(23)19-11-15-10-17(22(24)25)8-9-18(15)26-19/h2-5,8-11,16H,6-7,12H2,1H3