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

Systemtic Name: N-[2-[(4-nitrophenyl)amino]ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[2-(4-nitroanilino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[2-(4-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-(4-nitroanilino)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[2-(4-nitroanilino)ethyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)NCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3S/c21-17(16-11-12-3-1-2-4-15(12)24-16)19-10-9-18-13-5-7-14(8-6-13)20(22)23/h5-8,11,18H,1-4,9-10H2,(H,19,21)