3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)imino-4-(2-methylpropyl)-1,3-thiazolidin-3-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)imino-4-(2-methylpropyl)-1,3-thiazolidin-3-yl]butan-2-one Openeye Name: 1-[4-isobutyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidin-3-yl]-3,3-dimethyl-butan-2-one CAS Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitrophenyl)imino-4-(2-methylpropyl)-3-thiazolidinyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitrophenyl)imino-4-(2-methylpropyl)-1,3-thiazolidin-3-yl]butan-2-one Traditional Name: 1-[4-isobutyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidin-3-yl]-3,3-dimethyl-butan-2-one Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C(CS2)CC(C)C)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(C(CS2)CC(C)C)CC(=O)C(C)(C)C

InChI

InChI=1S/C20H29N3O3S/c1-13(2)9-16-12-27-19(22(16)11-18(24)20(4,5)6)21-17-8-7-15(23(25)26)10-14(17)3/h7-8,10,13,16H,9,11-12H2,1-6H3