N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-5-nitro-2-pyrrolidino-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C20H20N4O3S/c1-22(13-19-21-16-6-2-3-7-18(16)28-19)20(25)15-12-14(24(26)27)8-9-17(15)23-10-4-5-11-23/h2-3,6-9,12H,4-5,10-11,13H2,1H3