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

Systemtic Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-thiazole-4-carboxamide CAS Name: 2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-phenethyl-4-thiazolecarboxamide IUPAC Name: 2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-phenethyl-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(4-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-phenethyl-thiazole-4-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=C2C(=CC=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S2/c1-14-6-5-9-17-19(14)24-21(26-17)28-13-18-23-16(12-27-18)20(25)22-11-10-15-7-3-2-4-8-15/h2-9,12H,10-11,13H2,1H3,(H,22,25)