4-azanyl-N5-[1-(tert-butylamino)-1-oxidanylidene-pentan-2-yl]-N5-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[1-(tert-butylamino)-1-oxidanylidene-pentan-2-yl]-N5-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(tert-butylcarbamoyl)butyl]-N5-(p-tolyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(tert-butylamino)-1-oxopentan-2-yl]-N5-(4-methylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(tert-butylamino)-1-oxopentan-2-yl]-5-N-(4-methylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(tert-butylcarbamoyl)butyl]-N'-(p-tolyl)isothiazole-3,5-dicarboxamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCCC(C(=O)NC(C)(C)C)N(C1=CC=C(C=C1)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C21H29N5O3S/c1-6-7-14(19(28)24-21(3,4)5)26(13-10-8-12(2)9-11-13)20(29)17-15(22)16(18(23)27)25-30-17/h8-11,14H,6-7,22H2,1-5H3,(H2,23,27)(H,24,28)