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

Systemtic Name: N4,N5-bis(2-dimethylaminoethyl)-3-[(3-methoxyphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Openeye Name: N4,N5-bis(2-dimethylaminoethyl)-3-[(3-methoxyphenyl)sulfanylmethyl]isoxazole-4,5-dicarboxamide CAS Name: N4,N5-bis(2-dimethylaminoethyl)-3-[[(3-methoxyphenyl)thio]methyl]isoxazole-4,5-dicarboxamide IUPAC Name: 4-N,5-N-bis(2-dimethylaminoethyl)-3-[(3-methoxyphenyl)sulfanylmethyl]-1,2-oxazole-4,5-dicarboxamide Traditional Name: N,N'-bis(2-dimethylaminoethyl)-3-[[(3-methoxyphenyl)thio]methyl]isoxazole-4,5-dicarboxamide Formula: C21H31N5O4S MolecularWeight: 449.56694

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC(=C2)OC)C(=O)NCCN(C)C

Isomeric SMILES

CN(C)CCNC(=O)C1=C(ON=C1CSC2=CC=CC(=C2)OC)C(=O)NCCN(C)C

InChI

InChI=1S/C21H31N5O4S/c1-25(2)11-9-22-20(27)18-17(14-31-16-8-6-7-15(13-16)29-5)24-30-19(18)21(28)23-10-12-26(3)4/h6-8,13H,9-12,14H2,1-5H3,(H,22,27)(H,23,28)