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

Systemtic Name: 4-azanyl-N5-[1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]-N5-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(isopentylcarbamoyl)propyl]-N5-(p-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(3-methylbutylamino)-1-oxobutan-2-yl]-N5-(4-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(3-methylbutylamino)-1-oxobutan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(isoamylcarbamoyl)propyl]-N'-(p-tolyl)isothiazole-3,5-dicarboxamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O3S/c1-5-15(20(28)24-11-10-12(2)3)26(14-8-6-13(4)7-9-14)21(29)18-16(22)17(19(23)27)25-30-18/h6-9,12,15H,5,10-11,22H2,1-4H3,(H2,23,27)(H,24,28)