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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1CCC2=C(C1)C=C(S2)C(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O3S/c1-11-2-7-15-13(8-11)9-16(24-15)17(21)19-18-10-12-3-5-14(6-4-12)20(22)23/h3-6,9-11H,2,7-8H2,1H3,(H,19,21)/b18-10+