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

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-3-yl-ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(dimethylamino)-2-(3-thienyl)ethyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(dimethylamino)-2-(3-thiophenyl)ethyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(dimethylamino)-2-(3-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=CSC=C3

Isomeric SMILES

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

InChI

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