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

Systemtic Name: 4-(azepan-1-yl)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-(4-cyanophenyl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-(4-cyanophenyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-(4-cyanophenyl)thiazol-2-yl]-3-nitro-benzamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3S/c24-14-16-5-7-17(8-6-16)19-15-32-23(25-19)26-22(29)18-9-10-20(21(13-18)28(30)31)27-11-3-1-2-4-12-27/h5-10,13,15H,1-4,11-12H2,(H,25,26,29)