(2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H24N4O4S/c28-22(31-15-19-16-32-23(25-19)24-18-8-4-3-5-9-18)17-10-11-20(21(14-17)27(29)30)26-12-6-1-2-7-13-26/h3-5,8-11,14,16H,1-2,6-7,12-13,15H2,(H,24,25)