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

Systemtic Name: 4-azanyl-N5-[1-(tert-butylamino)-1-oxidanylidene-butan-2-yl]-N5-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[1-(tert-butylcarbamoyl)propyl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[1-(tert-butylamino)-1-oxobutan-2-yl]-N5-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[1-(tert-butylamino)-1-oxobutan-2-yl]-5-N-(2,3-dimethylphenyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[1-(tert-butylcarbamoyl)propyl]-N'-(2,3-dimethylphenyl)isothiazole-3,5-dicarboxamide Formula: C21H29N5O3S MolecularWeight: 431.55166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(C)(C)C)N(C1=CC=CC(=C1C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CCC(C(=O)NC(C)(C)C)N(C1=CC=CC(=C1C)C)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

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