N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3-nitro-4-pyrrolidino-benzamide Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C19H24N4O3S/c1-21(2)17(18-6-5-11-27-18)13-20-19(24)14-7-8-15(16(12-14)23(25)26)22-9-3-4-10-22/h5-8,11-12,17H,3-4,9-10,13H2,1-2H3,(H,20,24)