4-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(4-methylthiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(4-methyl-2-thiazolyl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(4-methylthiazol-2-yl)-3-nitro-benzamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O3S/c1-12-11-25-17(18-12)19-16(22)13-6-7-14(15(10-13)21(23)24)20-8-4-2-3-5-9-20/h6-7,10-11H,2-5,8-9H2,1H3,(H,18,19,22)