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

Systemtic Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(1R)-1-phenylethyl]thiazole-4-carboxamide CAS Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[(1R)-1-phenylethyl]-4-thiazolecarboxamide IUPAC Name: 2-[(5-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-[(1R)-1-phenylethyl]-1,3-thiazole-4-carboxamide Traditional Name: 2-[[(5-methyl-1,3-benzoxazol-2-yl)thio]methyl]-N-[(1R)-1-phenylethyl]thiazole-4-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CS3)C(=O)NC(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)SCC3=NC(=CS3)C(=O)N[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C21H19N3O2S2/c1-13-8-9-18-16(10-13)24-21(26-18)28-12-19-23-17(11-27-19)20(25)22-14(2)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3,(H,22,25)/t14-/m1/s1