4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide

Systemtic Name: 4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide Openeye Name: 4-[5-(2-phenoxyethylsulfanylmethyl)isoxazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide CAS Name: 4-[5-[(2-phenoxyethylthio)methyl]-3-isoxazolyl]-N-[2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-[5-(2-phenoxyethylsulfanylmethyl)-1,2-oxazol-3-yl]-N-(2-pyrrolidin-1-ylethyl)benzamide Traditional Name: 4-[5-[(2-phenoxyethylthio)methyl]isoxazol-3-yl]-N-(2-pyrrolidinoethyl)benzamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)C3=NOC(=C3)CSCCOC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)CCNC(=O)C2=CC=C(C=C2)C3=NOC(=C3)CSCCOC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O3S/c29-25(26-12-15-28-13-4-5-14-28)21-10-8-20(9-11-21)24-18-23(31-27-24)19-32-17-16-30-22-6-2-1-3-7-22/h1-3,6-11,18H,4-5,12-17,19H2,(H,26,29)