4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(5,6-dihydro-4H-cyclopenta[d]thiazol-2-yl)-3-nitro-benzamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=NC4=C(S3)CCC4)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O3S/c24-18(21-19-20-14-6-5-7-17(14)27-19)13-8-9-15(16(12-13)23(25)26)22-10-3-1-2-4-11-22/h8-9,12H,1-7,10-11H2,(H,20,21,24)