4-azanyl-N5-(2-methoxy-5-methyl-phenyl)-N5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-(2-methoxy-5-methyl-phenyl)-N5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(isopentylamino)-2-oxo-ethyl]-N5-(2-methoxy-5-methyl-phenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-(2-methoxy-5-methylphenyl)-N5-[2-(3-methylbutylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-(2-methoxy-5-methylphenyl)-5-N-[2-(3-methylbutylamino)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(isoamylamino)-2-keto-ethyl]-N'-(2-methoxy-5-methyl-phenyl)isothiazole-3,5-dicarboxamide Formula: C20H27N5O4S MolecularWeight: 433.52448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(CC(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(CC(=O)NCCC(C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C20H27N5O4S/c1-11(2)7-8-23-15(26)10-25(13-9-12(3)5-6-14(13)29-4)20(28)18-16(21)17(19(22)27)24-30-18/h5-6,9,11H,7-8,10,21H2,1-4H3,(H2,22,27)(H,23,26)