3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(2-dimethylaminoethyl)-1,2-oxazole-4,5-dicarboxamide

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(2-dimethylaminoethyl)-1,2-oxazole-4,5-dicarboxamide Openeye Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-N4,N5-bis(2-dimethylaminoethyl)isoxazole-4,5-dicarboxamide CAS Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N4,N5-bis(2-dimethylaminoethyl)isoxazole-4,5-dicarboxamide IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanylmethyl)-4-N,5-N-bis(2-dimethylaminoethyl)-1,2-oxazole-4,5-dicarboxamide Traditional Name: 3-[(1H-benzimidazol-2-ylthio)methyl]-N,N'-bis(2-dimethylaminoethyl)isoxazole-4,5-dicarboxamide Formula: C21H29N7O3S MolecularWeight: 459.56506

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCN(C)C

Isomeric SMILES

CN(C)CCNC(=O)C1=C(ON=C1CSC2=NC3=CC=CC=C3N2)C(=O)NCCN(C)C

InChI

InChI=1S/C21H29N7O3S/c1-27(2)11-9-22-19(29)17-16(26-31-18(17)20(30)23-10-12-28(3)4)13-32-21-24-14-7-5-6-8-15(14)25-21/h5-8H,9-13H2,1-4H3,(H,22,29)(H,23,30)(H,24,25)