2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentyl-thiazole-4-carboxamide CAS Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-pentyl-4-thiazolecarboxamide IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-pentyl-1,3-thiazole-4-carboxamide Traditional Name: N-amyl-2-[[(5-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:

CCCCCNC(=O)C1=CSC(=N1)CSC2=NC3=C(O2)C=CC(=C3)C

Isomeric SMILES

CCCCCNC(=O)C1=CSC(=N1)CSC2=NC3=C(O2)C=CC(=C3)C

InChI

InChI=1S/C18H21N3O2S2/c1-3-4-5-8-19-17(22)14-10-24-16(20-14)11-25-18-21-13-9-12(2)6-7-15(13)23-18/h6-7,9-10H,3-5,8,11H2,1-2H3,(H,19,22)