N4,N5-bis(2-dimethylaminoethyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: N4,N5-bis(2-dimethylaminoethyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-bis(2-dimethylaminoethyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: N4,N5-bis(2-dimethylaminoethyl)-3-[[(3,5-dimethylphenyl)thio]methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis(2-dimethylaminoethyl)-3-[(3,5-dimethylphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-bis(2-dimethylaminoethyl)-3-[[(3,5-dimethylphenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCCN(C)C)C(=O)NCCN(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)SCC2=NOC(=C2C(=O)NCCN(C)C)C(=O)NCCN(C)C)C

InChI

InChI=1S/C22H33N5O3S/c1-15-11-16(2)13-17(12-15)31-14-18-19(21(28)23-7-9-26(3)4)20(30-25-18)22(29)24-8-10-27(5)6/h11-13H,7-10,14H2,1-6H3,(H,23,28)(H,24,29)