2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Openeye Name: N-isopentyl-2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]thiazole-4-carboxamide CAS Name: 2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-(3-methylbutyl)-4-thiazolecarboxamide IUPAC Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(3-methylbutyl)-1,3-thiazole-4-carboxamide Traditional Name: N-isoamyl-2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]thiazole-4-carboxamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCCC(C)C

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCCC(C)C

InChI

InChI=1S/C18H21N3O2S2/c1-11(2)7-8-19-17(22)13-9-24-15(20-13)10-25-18-21-16-12(3)5-4-6-14(16)23-18/h4-6,9,11H,7-8,10H2,1-3H3,(H,19,22)