4-azanyl-N5-(2-methoxyphenyl)-N5-[1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-methoxyphenyl)-N5-[1-oxidanylidene-1-(oxolan-2-ylmethylamino)butan-2-yl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-(2-methoxyphenyl)-N5-[1-(tetrahydrofuran-2-ylmethylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-methoxyphenyl)-N5-[1-oxo-1-(2-oxolanylmethylamino)butan-2-yl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-methoxyphenyl)-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)butan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-(2-methoxyphenyl)-N'-[1-(tetrahydrofurfurylcarbamoyl)propyl]isothiazole-3,5-dicarboxamide Formula: C21H27N5O5S MolecularWeight: 461.53458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1CCCO1)N(C2=CC=CC=C2OC)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CCC(C(=O)NCC1CCCO1)N(C2=CC=CC=C2OC)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C21H27N5O5S/c1-3-13(20(28)24-11-12-7-6-10-31-12)26(14-8-4-5-9-15(14)30-2)21(29)18-16(22)17(19(23)27)25-32-18/h4-5,8-9,12-13H,3,6-7,10-11,22H2,1-2H3,(H2,23,27)(H,24,28)