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

Systemtic Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-1-(3-nitrophenyl)ethylideneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(S1)CCCC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(S1)CCCC2)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11(12-6-4-7-14(9-12)20(22)23)18-19-17(21)16-10-13-5-2-3-8-15(13)24-16/h4,6-7,9-10H,2-3,5,8H2,1H3,(H,19,21)/b18-11+