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

Systemtic Name: N-methyl-N-[(3-nitrophenyl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-methyl-N-[(3-nitrophenyl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-methyl-N-[(3-nitrophenyl)methyl]-2-(1-pyrrolyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-methyl-N-[(3-nitrophenyl)methyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-methyl-N-(3-nitrobenzyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

Isomeric SMILES

CN(CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)C2=C(SC3=C2CCCC3)N4C=CC=C4

InChI

InChI=1S/C21H21N3O3S/c1-22(14-15-7-6-8-16(13-15)24(26)27)20(25)19-17-9-2-3-10-18(17)28-21(19)23-11-4-5-12-23/h4-8,11-13H,2-3,9-10,14H2,1H3