2-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(E)-(2-chloranyl-5-nitro-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(E)-(2-chloro-5-nitro-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(E)-(2-chloro-5-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(=C(S2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN3O3S/c17-12-6-5-10(20(22)23)7-9(12)8-19-16-14(15(18)21)11-3-1-2-4-13(11)24-16/h5-8H,1-4H2,(H2,18,21)/b19-8+