N'-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

Systemtic Name: N'-(5-nitro-2-pyrrolidin-1-yl-phenyl)carbonyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Openeye Name: N'-(5-nitro-2-pyrrolidin-1-yl-benzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide CAS Name: N'-[[5-nitro-2-(1-pyrrolidinyl)phenyl]-oxomethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide IUPAC Name: N'-(5-nitro-2-pyrrolidin-1-ylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide Traditional Name: N'-(5-nitro-2-pyrrolidino-benzoyl)-4,5,6,7-tetrahydrobenzothiophene-2-carbohydrazide Formula: C20H22N4O4S MolecularWeight: 414.47808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S/c25-19(21-22-20(26)18-11-13-5-1-2-6-17(13)29-18)15-12-14(24(27)28)7-8-16(15)23-9-3-4-10-23/h7-8,11-12H,1-6,9-10H2,(H,21,25)(H,22,26)