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

Systemtic Name: N-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(E)-(3-nitro-4-pyrrolidin-1-yl-phenyl)methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(E)-[3-nitro-4-(1-pyrrolidinyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(E)-(3-nitro-4-pyrrolidin-1-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(E)-(3-nitro-4-pyrrolidino-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)NN=CC3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)N/N=C/C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c25-20(19-12-15-5-1-2-6-18(15)28-19)22-21-13-14-7-8-16(17(11-14)24(26)27)23-9-3-4-10-23/h7-8,11-13H,1-6,9-10H2,(H,22,25)/b21-13+