N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methoxy-5-nitro-benzamide

Systemtic Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methoxy-5-nitro-benzamide Openeye Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methoxy-5-nitro-benzamide CAS Name: N-[4-(1-azepanylmethyl)-2-thiazolyl]-2-methoxy-5-nitrobenzamide IUPAC Name: N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-methoxy-5-nitrobenzamide Traditional Name: N-[4-(azepan-1-ylmethyl)thiazol-2-yl]-2-methoxy-5-nitro-benzamide Formula: C18H22N4O4S MolecularWeight: 390.45668

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)CN3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=NC(=CS2)CN3CCCCCC3

InChI

InChI=1S/C18H22N4O4S/c1-26-16-7-6-14(22(24)25)10-15(16)17(23)20-18-19-13(12-27-18)11-21-8-4-2-3-5-9-21/h6-7,10,12H,2-5,8-9,11H2,1H3,(H,19,20,23)