4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N5-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(tert-butylamino)-2-oxo-ethyl]-N5-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(tert-butylamino)-2-oxoethyl]-N5-(3-pyridinylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(tert-butylamino)-2-oxoethyl]-5-N-(pyridin-3-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(tert-butylamino)-2-keto-ethyl]-N'-(3-pyridylmethyl)isothiazole-3,5-dicarboxamide Formula: C17H22N6O3S MolecularWeight: 390.45998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N6O3S/c1-17(2,3)21-11(24)9-23(8-10-5-4-6-20-7-10)16(26)14-12(18)13(15(19)25)22-27-14/h4-7H,8-9,18H2,1-3H3,(H2,19,25)(H,21,24)