N-methyl-N-[(4-nitrophenyl)methyl]-1-benzothiophene-2-carbothioamide

Systemtic Name: N-methyl-N-[(4-nitrophenyl)methyl]-1-benzothiophene-2-carbothioamide Openeye Name: N-methyl-N-[(4-nitrophenyl)methyl]benzothiophene-2-carbothioamide CAS Name: N-methyl-N-[(4-nitrophenyl)methyl]-1-benzothiophene-2-carbothioamide IUPAC Name: N-methyl-N-[(4-nitrophenyl)methyl]-1-benzothiophene-2-carbothioamide Traditional Name: N-methyl-N-(4-nitrobenzyl)benzothiophene-2-carbothioamide Formula: C17H14N2O2S2 MolecularWeight: 342.43526

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=S)C2=CC3=CC=CC=C3S2

Isomeric SMILES

CN(CC1=CC=C(C=C1)[N+](=O)[O-])C(=S)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C17H14N2O2S2/c1-18(11-12-6-8-14(9-7-12)19(20)21)17(22)16-10-13-4-2-3-5-15(13)23-16/h2-10H,11H2,1H3