4-azanyl-N5-[1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-N5-phenyl-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(isopentylcarbamoyl)propyl]-N5-phenyl-isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(3-methylbutylamino)-1-oxobutan-2-yl]-N5-phenylisothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(3-methylbutylamino)-1-oxobutan-2-yl]-5-N-phenyl-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(isoamylcarbamoyl)propyl]-N'-phenyl-isothiazole-3,5-dicarboxamide Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC(C)C)N(C1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCC(C(=O)NCCC(C)C)N(C1=CC=CC=C1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C20H27N5O3S/c1-4-14(19(27)23-11-10-12(2)3)25(13-8-6-5-7-9-13)20(28)17-15(21)16(18(22)26)24-29-17/h5-9,12,14H,4,10-11,21H2,1-3H3,(H2,22,26)(H,23,27)