N-methyl-N-[(2-nitrophenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Systemtic Name: N-methyl-N-[(2-nitrophenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Openeye Name: N-methyl-N-[(2-nitrophenyl)methyl]-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide CAS Name: N-methyl-N-[(2-nitrophenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide IUPAC Name: N-methyl-N-[(2-nitrophenyl)methyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide Traditional Name: N-methyl-N-(2-nitrobenzyl)-4,5-dihydrobenzo[g]benzothiophene-2-carboxamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

Isomeric SMILES

CN(CC1=CC=CC=C1[N+](=O)[O-])C(=O)C2=CC3=C(S2)C4=CC=CC=C4CC3

InChI

InChI=1S/C21H18N2O3S/c1-22(13-16-7-3-5-9-18(16)23(25)26)21(24)19-12-15-11-10-14-6-2-4-8-17(14)20(15)27-19/h2-9,12H,10-11,13H2,1H3