2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide CAS Name: 2-(1,3-benzoxazol-2-ylthio)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-N-cyclopropyl-N-(2,5-dimethoxybenzyl)acetamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN(C2CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S/c1-25-16-9-10-18(26-2)14(11-16)12-23(15-7-8-15)20(24)13-28-21-22-17-5-3-4-6-19(17)27-21/h3-6,9-11,15H,7-8,12-13H2,1-2H3