4-azanyl-N5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N5-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide

Systemtic Name: 4-azanyl-N5-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]-N5-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Openeye Name: 4-amino-N5-[2-(isopentylamino)-2-oxo-ethyl]-N5-(2-thienylmethyl)isothiazole-3,5-dicarboxamide CAS Name: 4-amino-N5-[2-(3-methylbutylamino)-2-oxoethyl]-N5-(thiophen-2-ylmethyl)isothiazole-3,5-dicarboxamide IUPAC Name: 4-amino-5-N-[2-(3-methylbutylamino)-2-oxoethyl]-5-N-(thiophen-2-ylmethyl)-1,2-thiazole-3,5-dicarboxamide Traditional Name: 4-amino-N'-[2-(isoamylamino)-2-keto-ethyl]-N'-(2-thenyl)isothiazole-3,5-dicarboxamide Formula: C17H23N5O3S2 MolecularWeight: 409.52622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN(CC1=CC=CS1)C(=O)C2=C(C(=NS2)C(=O)N)N

Isomeric SMILES

CC(C)CCNC(=O)CN(CC1=CC=CS1)C(=O)C2=C(C(=NS2)C(=O)N)N

InChI

InChI=1S/C17H23N5O3S2/c1-10(2)5-6-20-12(23)9-22(8-11-4-3-7-26-11)17(25)15-13(18)14(16(19)24)21-27-15/h3-4,7,10H,5-6,8-9,18H2,1-2H3,(H2,19,24)(H,20,23)