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

Systemtic Name: 4-azanyl-N5-[1-oxidanylidene-1-(oxolan-2-ylmethylamino)propan-2-yl]-N5-(phenylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-benzyl-N5-[1-methyl-2-oxo-2-(tetrahydrofuran-2-ylmethylamino)ethyl]isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-oxo-1-(2-oxolanylmethylamino)propan-2-yl]-N5-(phenylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-benzyl-5-N-[1-oxo-1-(oxolan-2-ylmethylamino)propan-2-yl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-benzyl-N'-[2-keto-1-methyl-2-(tetrahydrofurfurylamino)ethyl]isothiazole-3,5-dicarboxamide Formula: C20H25N5O4S MolecularWeight: 431.5086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCO1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

Isomeric SMILES

CC(C(=O)NCC1CCCO1)N(CC2=CC=CC=C2)C(=O)C3=C(C(=NS3)C(=O)N)N

InChI

InChI=1S/C20H25N5O4S/c1-12(19(27)23-10-14-8-5-9-29-14)25(11-13-6-3-2-4-7-13)20(28)17-15(21)16(18(22)26)24-30-17/h2-4,6-7,12,14H,5,8-11,21H2,1H3,(H2,22,26)(H,23,27)