N-(4-methoxy-2-nitro-phenyl)-2-[(5R)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5R)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxidanylidene-2-phenylimino-1,3-thiazolidin-5-yl]ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[(5R)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-phenylimino-thiazolidin-5-yl]acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[(5R)-3-[3-(4-morpholin-4-iumyl)propyl]-4-oxo-2-phenylimino-5-thiazolidinyl]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[(5R)-3-(3-morpholin-4-ium-4-ylpropyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide Traditional Name: 2-[(5R)-4-keto-3-(3-morpholin-4-ium-4-ylpropyl)-2-phenylimino-thiazolidin-5-yl]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C25H30N5O6S+ MolecularWeight: 528.6006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CC2C(=O)N(C(=NC3=CC=CC=C3)S2)CCC[NH+]4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)C[C@@H]2C(=O)N(C(=NC3=CC=CC=C3)S2)CCC[NH+]4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H29N5O6S/c1-35-19-8-9-20(21(16-19)30(33)34)27-23(31)17-22-24(32)29(11-5-10-28-12-14-36-15-13-28)25(37-22)26-18-6-3-2-4-7-18/h2-4,6-9,16,22H,5,10-15,17H2,1H3,(H,27,31)/p+1/t22-/m1/s1