N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-[(E)-(4-chloro-3-nitro-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H14ClN3O3S/c17-13-6-5-10(7-14(13)20(22)23)8-18-19-16(21)12-9-24-15-4-2-1-3-11(12)15/h5-9H,1-4H2,(H,19,21)/b18-8+