N-[2-(butanoylamino)ethyl]-2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[2-(butanoylamino)ethyl]-2-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[2-(butanoylamino)ethyl]-2-[(2-isopropyl-5-methyl-phenoxy)methyl]thiazole-4-carboxamide CAS Name: 2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-N-[2-(1-oxobutylamino)ethyl]-4-thiazolecarboxamide IUPAC Name: N-[2-(butanoylamino)ethyl]-2-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-(2-butyramidoethyl)-2-[(2-isopropyl-5-methyl-phenoxy)methyl]thiazole-4-carboxamide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=C(C=CC(=C2)C)C(C)C

Isomeric SMILES

CCCC(=O)NCCNC(=O)C1=CSC(=N1)COC2=C(C=CC(=C2)C)C(C)C

InChI

InChI=1S/C21H29N3O3S/c1-5-6-19(25)22-9-10-23-21(26)17-13-28-20(24-17)12-27-18-11-15(4)7-8-16(18)14(2)3/h7-8,11,13-14H,5-6,9-10,12H2,1-4H3,(H,22,25)(H,23,26)