3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Openeye Name: 3-isopentyl-N-(4-morpholinosulfonylphenyl)-4-(4-nitrophenyl)thiazol-2-imine CAS Name: 3-(3-methylbutyl)-N-[4-(4-morpholinylsulfonyl)phenyl]-4-(4-nitrophenyl)-2-thiazolimine IUPAC Name: 3-(3-methylbutyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine Traditional Name: [3-isoamyl-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]-(4-morpholinosulfonylphenyl)amine Formula: C24H28N4O5S2 MolecularWeight: 516.63292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCN1C(=CSC1=NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O5S2/c1-18(2)11-12-27-23(19-3-7-21(8-4-19)28(29)30)17-34-24(27)25-20-5-9-22(10-6-20)35(31,32)26-13-15-33-16-14-26/h3-10,17-18H,11-16H2,1-2H3