N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide

Systemtic Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Openeye Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide CAS Name: N-[2-[(1-methyl-2-imidazolyl)thio]ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide IUPAC Name: N-[2-(1-methylimidazol-2-yl)sulfanylethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Traditional Name: N-[2-[(1-methylimidazol-2-yl)thio]ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1SCCNC(=O)C2=CC3=C(C=C2)OC(=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C23H24N4O2S/c1-27-14-12-25-23(27)30-15-13-24-22(28)18-10-11-20-19(16-18)26-21(29-20)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-12,14,16H,5,8-9,13,15H2,1H3,(H,24,28)