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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4S/c1-12(2)8-9-23-15(26)11-25(10-13-4-6-14(29-3)7-5-13)20(28)18-16(21)17(19(22)27)24-30-18/h4-7,12H,8-11,21H2,1-3H3,(H2,22,27)(H,23,26)