N-methyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C17H18N2O3S/c1-18(11-12-5-4-7-14(9-12)19(21)22)17(20)16-10-13-6-2-3-8-15(13)23-16/h4-5,7,9-10H,2-3,6,8,11H2,1H3