3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitro-phenyl)imino-1,3-thiazolidin-4-one

Systemtic Name: 3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitro-phenyl)imino-1,3-thiazolidin-4-one Openeye Name: 3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidin-4-one CAS Name: 3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitrophenyl)imino-4-thiazolidinone IUPAC Name: 3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-4-one Traditional Name: 3-[(1S)-1-cyclohexylethyl]-5-methyl-2-(2-methyl-4-nitro-phenyl)imino-thiazolidin-4-one Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C)S1)C(C)C3CCCCC3

Isomeric SMILES

CC1C(=O)N(C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C)S1)[C@@H](C)C3CCCCC3

InChI

InChI=1S/C19H25N3O3S/c1-12-11-16(22(24)25)9-10-17(12)20-19-21(18(23)14(3)26-19)13(2)15-7-5-4-6-8-15/h9-11,13-15H,4-8H2,1-3H3/t13-,14?/m0/s1