3-nitro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-yl-benzamide

Systemtic Name: 3-nitro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-N-[4-(phenoxymethyl)thiazol-2-yl]-4-pyrrolidin-1-yl-benzamide CAS Name: 3-nitro-N-[4-(phenoxymethyl)-2-thiazolyl]-4-(1-pyrrolidinyl)benzamide IUPAC Name: 3-nitro-N-[4-(phenoxymethyl)-1,3-thiazol-2-yl]-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-N-[4-(phenoxymethyl)thiazol-2-yl]-4-pyrrolidino-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)COC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)COC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O4S/c26-20(15-8-9-18(19(12-15)25(27)28)24-10-4-5-11-24)23-21-22-16(14-30-21)13-29-17-6-2-1-3-7-17/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,22,23,26)