2-[2-chloranyl-4-[(3-methylbutylamino)methyl]phenoxy]-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[2-chloranyl-4-[(3-methylbutylamino)methyl]phenoxy]-1,3-thiazole-5-carboxamide Openeye Name: 2-[2-chloro-4-[(isopentylamino)methyl]phenoxy]thiazole-5-carboxamide CAS Name: 2-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]-5-thiazolecarboxamide IUPAC Name: 2-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]-1,3-thiazole-5-carboxamide Traditional Name: 2-[2-chloro-4-[(isoamylamino)methyl]phenoxy]thiazole-5-carboxamide Formula: C16H20ClN3O2S MolecularWeight: 353.8669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNCC1=CC(=C(C=C1)OC2=NC=C(S2)C(=O)N)Cl

Isomeric SMILES

CC(C)CCNCC1=CC(=C(C=C1)OC2=NC=C(S2)C(=O)N)Cl

InChI

InChI=1S/C16H20ClN3O2S/c1-10(2)5-6-19-8-11-3-4-13(12(17)7-11)22-16-20-9-14(23-16)15(18)21/h3-4,7,9-10,19H,5-6,8H2,1-2H3,(H2,18,21)